SCHEMBL700944

SCHEMBL700944

NCCc1n[nH]c2ccccc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.53
CYP3A4 P08684 2/20 0.53
GAA P10253 2/20 0.53
PDPK1 O15530 1/20 0.53
CYP1A2 P05177 3/20 0.46
CYP2D6 P10635 2/20 0.46
MPO P05164 1/20 0.46
CYP2A6 P11509 1/20 0.46
NFKB1 P19838 1/20 0.46
HTR1D P28221 1/20 0.46
HTR1B P28222 1/20 0.46
HTR2A P28223 1/20 0.46
HTR2C P28335 1/20 0.46
HTR7 P34969 1/20 0.46
CTSK P43235 1/20 0.46
HTR6 P50406 1/20 0.46
CYP2A13 Q16696 1/20 0.46
TAAR1 Q96RJ0 1/20 0.46
ALDH1A1 P00352 3/20 0.46
IDO1 P14902 2/20 0.46

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
Hydrochloric Acid SCHEMBL31547777 0.98 KDM4E (0.52) KDM4ECYP3A4GAAPDPK1CYP1A2
Hydrochloric Acid SCHEMBL892688 0.98 KDM4E (0.52) KDM4ECYP3A4GAAPDPK1CYP1A2
SCHEMBL2071550 0.89 KDM4E (0.50) KDM4ECYP3A4GAAPDPK1CYP1A2
SCHEMBL702375 0.84 PRMT5 (0.61) KDM4ECYP3A4GAAPDPK1CYP1A2
SCHEMBL31530816 0.81 KDM4E (0.48) KDM4ECYP3A4GAAPDPK1CYP1A2
SCHEMBL730150 0.81 KDM4E (0.48) KDM4ECYP3A4GAAPDPK1CYP1A2
SCHEMBL7714118 0.81 KDM4E (0.48) KDM4ECYP3A4GAAPDPK1CYP1A2
SCHEMBL3347649 0.81 KDM4E (0.48) KDM4ECYP3A4GAAPDPK1CYP1A2
SCHEMBL6450219 0.81 KDM4E (0.48) KDM4ECYP3A4GAAPDPK1CYP1A2
SCHEMBL1326632 0.78 KDM4E (0.46) KDM4ECYP3A4GAAPDPK1CYP1A2

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 98 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3672582-B1 COMPOSITIONS AND METHODS FOR TREATING CANCER CEDARS SINAI MEDICAL CENTER (US) 2026-04-15 EP disclosed
EP-4680236-A2 3-ALKYLAMINE INDOLE ACTIVATORS OF SEROTONIN RECEPTORS ATAI Therapeutics, Inc. (US) 2026-01-21 EP disclosed
US-20260015316-A1 COMPOSITIONS AND METHODS FOR TREATING CANCER CEDARS-SINAI MEDICAL CENTER (US) 2026-01-15 US disclosed
US-12421185-B2 Compositions and methods for treating cancer CEDARS-SINAI MEDICAL CENTER (US) 2025-09-23 US disclosed
WO-2024192150-A2 3-ALKYLAMINE INDOLE ACTIVATORS OF SEROTONIN RECEPTORS Atai Therapeutics Inc. (US) 2024-09-19 WO disclosed
US-11529338-B2 Compositions and methods for treating cancer CEDARS-SINAI MEDICAL CENTER (US) 2022-12-20 US disclosed
US-11529338-B2 Compositions and methods for treating cancer CEDARS-SINAI MEDICAL CENTER (US) 2022-12-20 US disclosed
US-20210163403-A1 COMPOSITIONS AND METHODS FOR TREATING CANCER CEDARS-SINAI MEDICAL CENTER (US) 2021-06-03 US disclosed
US-20210163403-A1 COMPOSITIONS AND METHODS FOR TREATING CANCER CEDARS-SINAI MEDICAL CENTER (US) 2021-06-03 US disclosed
US-10927070-B2 Compositions and methods for treating cancer CEDARS-SINAI MEDICAL CENTER (US) 2021-02-23 US disclosed
US-20030230363-A1 Non-toxic corrosion-protection rinses and seals based on cobalt UNIVERSITY OF DAYTON 2003-12-18 US disclosed
US-20030180357-A1 Pharmaceutical tablet MCNEIL-PPC, INC 2003-09-25 US disclosed
WO-2003066029-A2 PHARMACEUTICAL DOSAGE FORM FOR MUCOSAL DELIVERY PHARMACIA CORPORATION (US) 2003-08-14 WO disclosed
WO-2003060192-A1 NON-TOXIC CORROSION-PROTECTION RINSES AND SEALS BASED ON COBALT UNIVERSITY OF DAYTON (US) 2003-07-24 WO disclosed
WO-2003060019-A1 NON-TOXIC CORROSION PROTECTION PIGMENTS BASED ON COBALT UNIVERSITY OF DAYTON (US) 2003-07-24 WO disclosed
EP-1178045-B1 Azaindole-ethylamine derivatives as nicotine acetylchlorine receptor binding agents PFIZER (US) 2003-05-28 EP disclosed
EP-0870768-B1 Azaindole-ethylamine derivatives as nicotinic acetylcholine receptor binding agents PFIZER (US) 2002-05-15 EP disclosed
EP-1178045-A1 Azaindole-ethylamine derivatives as nicotine acetylchlorine receptor binding agents PFIZER INC. (US) 2002-02-06 EP disclosed
US-5977131-A Azaindole-ethylamine derivatives as nicotinic acetylcholine receptor binding agents PFIZER INC. (US) 1999-11-02 US disclosed
EP-0870768-A1 Azaindole-ethylamine derivatives as nicotinic acetylcholine receptor binding agents PFIZER INC. (US) 1998-10-14 EP 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 (6 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-20030180357-A1 Pharmaceutical tablet GYPA, SORD, SRI KDM4E 3204/4885CYP3A4 306/4885GAA 296/4885
US-12421185-B2 Compositions and methods for treating cancer TSG101, RNASE1, TP53 KDM4E 2650/4885CYP3A4 4846/4885GAA 703/4885
US-20210163403-A1 COMPOSITIONS AND METHODS FOR TREATING CANCER TSG101, RNASE1, TP53 KDM4E 2650/4885CYP3A4 4846/4885GAA 703/4885
US-11529338-B2 Compositions and methods for treating cancer CHRNB2, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, NNMT KDM4E 3951/4885CYP3A4 4880/4885GAA 900/4885
US-20260015316-A1 COMPOSITIONS AND METHODS FOR TREATING CANCER GLI1, RCC2, BRCA1 KDM4E 1875/4885CYP3A4 4173/4885GAA 4271/4885
US-10927070-B2 Compositions and methods for treating cancer TSG101, RNASE1, TP53 KDM4E 2650/4885CYP3A4 4846/4885GAA 703/4885

“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.