SCHEMBL19971718

SCHEMBL19971718

CNCCc1c[nH]c2ccc(C(C)(C)C)cc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 7/20 1.00
HTR1B P28222 3/20 1.00
HTR1A P08908 2/20 1.00
KDM4E B2RXH2 3/20 0.65
MPO P05164 3/20 0.65
MEN1 O00255 1/20 0.65
CYP2D6 P10635 1/20 0.65
HTR2C P28335 1/20 0.65
KMT2A Q03164 1/20 0.65
HTR2A P28223 2/20 0.62
ALDH1A1 P00352 2/20 0.59
HTT P42858 1/20 0.59
LMNA P02545 1/20 0.58
NPSR1 Q6W5P4 1/20 0.58
TDP1 Q9NUW8 1/20 0.58
CHRNB2 P17787 1/20 0.54
CHRNA7 P36544 1/20 0.54
CHRNA4 P43681 1/20 0.54
TRPV1 Q8NER1 2/20 0.52
HTR5A P47898 1/20 0.47

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL24406803 0.82 MTNR1A (0.70) HTR1DHTR1BHTR1AKDM4EMPO
SCHEMBL13252962 0.82 HTR1D (0.73) HTR1DHTR1BHTR1AKDM4EMPO
SCHEMBL7853204 0.82 HTR1D (1.00) HTR1DHTR1BHTR1AMPOCYP2D6
Hydrochloric Acid SCHEMBL7680692 0.81 HTR1D (0.97) HTR1DHTR1BHTR1AMPOCYP2D6
SCHEMBL4303662 0.80 KDM4E (0.70) HTR1DHTR1BHTR1AKDM4EMPO
SCHEMBL21341623 0.80 HTR1D (0.69) HTR1DHTR1BHTR1ATRPV1
SCHEMBL13209526 0.79 HTR1D (1.00) HTR1DHTR1BHTR1AMPOCYP2D6
SCHEMBL19286645 0.79 HTR1D (0.69) HTR1DHTR1BHTR1AMPOHTR2A
SCHEMBL10648384 0.79 CHRNB2 (0.78) HTR1DHTR1BHTR1AKDM4EMPO
SCHEMBL2841739 0.79 MPO (0.68) HTR1DHTR1BHTR1AKDM4EMPO

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12551481-B2 Molecular targets for addiction THE JACKSON LABORATORY (US) 2026-02-17 US disclosed
US-12391645-B2 N-isopropyl tryptamines and method of making monoalkylated and dialkylated tryptamine analogs CAAMTECH, INC. (US) 2025-08-19 US disclosed
US-20250197352-A1 N-ISOPROPYL TRYPTAMINES AND METHOD OF MAKING MONOALKYLATED AND DIALKYLATED TRYPTAMINE ANALOGS CAAMTECH, INC. 2025-06-19 US disclosed
EP-4525861-A2 N-ISOPROPYL TRYPTAMINES AND METHOD OF MAKING MONOALKYLATED AND DIALKYLATED TRYPTAMINE ANALOGS Caamtech, Inc. (US) 2025-03-26 EP disclosed
WO-2023225679-A2 N-ISOPROPYL TRYPTAMINES AND METHOD OF MAKING MONOALKYLATED AND DIALKYLATED TRYPTAMINE ANALOGS CAAMTECH, INC. (US) 2023-11-23 WO disclosed
US-20230057844-A1 MOLECULAR TARGETS FOR ADDICTION THE JACKSON LABORATORY (US) 2023-02-23 US disclosed
US-20230035892-A1 METHODS AND COMPOSITIONS FOR TREATING CANCER FLAGSHIP PIONEERING, INC. 2023-02-02 US disclosed
US-11274158-B2 Methods and compositions for treating inflammatory or autoimmune diseases or conditions using calcitonin receptor activators FLAGSHIP PIONEERING INNOVATIONS V, INC. (US) 2022-03-15 US disclosed
US-20220033490-A1 METHODS AND COMPOSITIONS FOR TREATING CANCER USING CHRNA6 INHIBITORS FLAGSHIP PIONEERING INNOVATIONS V INC (US) 2022-02-03 US disclosed
US-11208475-B1 Methods and compositions for treating inflammatory or autoimmune diseases or conditions using serotonin receptor activators FLAGSHIP PIONEERING INNOVATIONS V, INC. (US) 2021-12-28 US disclosed
US-11059886-B1 Methods and compositions for treating inflammatory or autoimmune diseases or conditions using GRM8 activators FLAGSHIP PIONEERING INNOVATIONS V, INC. (US) 2021-07-13 US disclosed
US-11013717-B1 Methods and compositions for treating cancer using SERCA pump inhibitors FLAGSHIP PIONEERING INNOVATIONS V, INC. (US) 2021-05-25 US disclosed
US-20200360364-A1 METHODS AND COMPOSITIONS FOR TREATING INFLAMMATORY OR AUTOIMMUNE DISEASES OR CONDITIONS USING CHRNA6 ACTIVATORS FLAGSHIP PIONEERING INNOVATIONS V INC (US) 2020-11-19 US disclosed
US-20200290992-A1 Deuterium-Substituted Pyridin- And Pyrimidin-2-yl-Methylamine Compounds AUSPEX PHARMACEUTICALS, INC. 2020-09-17 US disclosed
US-10683352-B1 Methods for treating cancer using GRM8 inhibitors FLAGSHIP PIONEERING INNOVATIONS V, INC. (US) 2020-06-16 US disclosed
US-10626105-B2 Deuterium-substituted pyridin- and pyrimidin-2-yl-methylamine compounds AUSPEX PHARMACEUTICALS, INC. (US) 2020-04-21 US disclosed
US-10457740-B1 Methods and compositions for treating cancer using P2RX2 inhibitors FLAGSHIP PIONEERING INNOVATIONS V, INC. (US) 2019-10-29 US disclosed
US-20190233527-A1 METHODS AND COMPOSITIONS FOR TREATING INFLAMMATORY OR AUTOIMMUNE DISEASES OR CONDITIONS USING CALCITONIN RECEPTOR ACTIVATORS FLAGSHIP PIONEERING, INC. 2019-08-01 US disclosed
WO-2018057576-A1 DEUTERIUM-SUBSTITUTED PYRIDIN- AND PYRIMIDIN-2-YL-METHYLAMINE COMPOUNDS AUSPEX PHARMACEUTICALS, INC. (US) 2018-03-29 WO disclosed
US-20180079742-A1 Deuterium-Substituted Pyridin- And Pyrimidin-2-yl-Methylamine Compounds AUSPEX PHARMACEUTICALS, INC. 2018-03-22 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (8 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20200290992-A1 Deuterium-Substituted Pyridin- And Pyrimidin-2-yl-Methylamine Compounds HTR2C, HTR5A, HTR1A HTR1D 10/4885HTR1B 7/4885HTR1A 3/4885
US-12391645-B2 N-isopropyl tryptamines and method of making monoalkylated and dialkylated tryptamine analogs INMT, SLC6A4, HNMT HTR1D 35/4885HTR1B 30/4885HTR1A 24/4885
US-20220033490-A1 METHODS AND COMPOSITIONS FOR TREATING CANCER USING CHRNA6 INHIBITORS CHRNA6, CHRNA1, CHRNB1 HTR1D 1651/4885HTR1B 428/4885HTR1A 573/4885
US-20180079742-A1 Deuterium-Substituted Pyridin- And Pyrimidin-2-yl-Methylamine Compounds HTR2C, HTR5A, HTR1A HTR1D 10/4885HTR1B 7/4885HTR1A 3/4885
US-20200360364-A1 METHODS AND COMPOSITIONS FOR TREATING INFLAMMATORY OR AUTOIMMUNE DISEASES OR CONDITIONS USING CHRNA6 ACTIVATORS CHRNA6, CHRNA1, CHRNG HTR1D 1770/4885HTR1B 611/4885HTR1A 558/4885
US-20250197352-A1 N-ISOPROPYL TRYPTAMINES AND METHOD OF MAKING MONOALKYLATED AND DIALKYLATED TRYPTAMINE ANALOGS INMT, SLC6A4, HNMT HTR1D 35/4885HTR1B 30/4885HTR1A 24/4885
US-10626105-B2 Deuterium-substituted pyridin- and pyrimidin-2-yl-methylamine compounds HTR2C, HTR5A, HTR1A HTR1D 10/4885HTR1B 7/4885HTR1A 3/4885
US-12551481-B2 Molecular targets for addiction HTR1D, HTR2A, HTR1A HTR1D 1/4885HTR1B 8/4885HTR1A 3/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.