SCHEMBL7897281

SCHEMBL7897281

c1ccc(C2CNC2)nc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB4 P30926 4/20 0.45
CHRNA3 P32297 4/20 0.45
ALDH1A1 P00352 3/20 0.42
MAPT P10636 2/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
KMT2A Q03164 1/20 0.42
KDM4E B2RXH2 2/20 0.42
LMNA P02545 1/20 0.42
CYP1A2 P05177 1/20 0.42
POLB P06746 1/20 0.42
CCR1 P32246 1/20 0.42
CCR5 P51681 1/20 0.42
CCR8 P51685 1/20 0.42
METAP1 P53582 1/20 0.42
BLM P54132 1/20 0.42
HIF1A Q16665 1/20 0.42
DOHH Q9BU89 1/20 0.42
P4HTM Q9NXG6 1/20 0.42
DDB1 Q16531 1/20 0.42

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 SCHEMBL30585733 0.98 CHRNB4 (0.43) CHRNB4CHRNA3ALDH1A1MAPTNPC1
Hydrochloric Acid SCHEMBL29550809 0.98 CHRNB4 (0.43) CHRNB4CHRNA3ALDH1A1MAPTNPC1
Hydrochloric Acid SCHEMBL1742232 0.98 CHRNB4 (0.43) CHRNB4CHRNA3ALDH1A1MAPTNPC1
Hydrochloric Acid SCHEMBL21640365 0.98 CHRNB4 (0.43) CHRNB4CHRNA3ALDH1A1MAPTNPC1
SCHEMBL14868820 0.84 SLC18A3 (0.42) DDB1CRBNHTR3A
SCHEMBL29889405 0.84 SLC18A3 (0.42) DDB1CRBNHTR3A
SCHEMBL166955 0.84 SLC18A3 (0.42) DDB1CRBNHTR3A
SCHEMBL3921393 0.84 SLC18A3 (0.42) DDB1CRBNHTR3A
SCHEMBL3923917 0.84 SLC18A3 (0.42) DDB1CRBNHTR3A
Hydrochloric Acid SCHEMBL3972091 0.83 SLC18A3 (0.41) DDB1CRBNHTR3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220127254-A1 INDAZOLYL-ISOXAZOLE DERIVATIVES FOR THE TREATMENT OF DISEASES SUCH AS CANCER MERCK PATENT GMBH (DE) 2022-04-28 US claimed
US-20250243208-A1 BICYCLIC HETEROCYCLES AS MRGPRX2 ANTAGONISTS INCYTE CORPORATION 2025-07-31 US disclosed
EP-3724194-B1 SUBSTITUTED AZETIDINE DIHYDROTHIENOPYRIMIDINES AND THEIR USE AS PHOSPHODIESTERASE INHIBITORS UNION THERAPEUTICS AS (DK) 2023-12-27 EP disclosed
CN-111712502-B Substituted azetidine dihydro-thienopyrimidines and their use as phosphodiesterase inhibitors 联合疗法公司 2023-10-27 CN disclosed
US-11292799-B2 Substituted azetidine dihydrothienopyrimidines and their use as phosphodiesterase inhibitors UNION therapeutics A/S (DK) 2022-04-05 US disclosed
US-11253499-B2 Compounds GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2022-02-22 US disclosed
WO-2021202600-A1 SMALL MOLECULE INHIBITORS OF INFLUENZA HEMAGGLUTININ THE SCRIPPS RESEARCH INSTITUTE (US) 2021-10-07 WO disclosed
US-20210070769-A1 SUBSTITUTED AZETIDINE DIHYDROTHIENOPYRIMIDINES AND THEIR USE AS PHOSPHODIESTERASE INHIBITORS UNION therapeutics A/S (DK) 2021-03-11 US disclosed
EP-3724194-A1 SUBSTITUTED AZETIDINE DIHYDROTHIENOPYRIMIDINES AND THEIR USE AS PHOSPHODIESTERASE INHIBITORS Leo Pharma A/S (DK) 2020-10-21 EP disclosed
CN-111712502-A Substituted azetidine dihydrothienopyrimidines and their use as phosphodiesterase inhibitors 利奥制药有限公司 2020-09-25 CN disclosed
WO-2013019561-A1 NUCLEAR TRANSPORT MODULATORS AND USES THEREOF KARYOPHARM THERAPEUTICS, INC. (US) 2013-02-07 WO disclosed
US-20120329777-A1 Amino-Heterocyclic Compounds PFIZER INC. 2012-12-27 US disclosed
US-20120329777-A1 Amino-Heterocyclic Compounds PFIZER INC. 2012-12-27 US disclosed
US-8278295-B2 Amino-heterocyclic compounds PFIZER INC. (US) 2012-10-02 US disclosed
US-8278295-B2 Amino-heterocyclic compounds PFIZER INC. (US) 2012-10-02 US disclosed
US-20100190771-A1 AMINO-HETEROCYCLIC COMPOUNDS PFIZER INC. 2010-07-29 US disclosed
US-20100190771-A1 AMINO-HETEROCYCLIC COMPOUNDS PFIZER INC. 2010-07-29 US disclosed
WO-2010084438-A1 AMINO-HETEROCYCLIC COMPOUNDS USED AS PDE9 INHIBITORS PFIZER INC. (US) 2010-07-29 WO disclosed
US-4163856-A Azetidine compounds and process for production PHILIP MORRIS INCORPORATED (US) 1979-08-07 US disclosed
US-4163856-A Azetidine compounds and process for production PHILIP MORRIS INCORPORATED (US) 1979-08-07 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 (7 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-11292799-B2 Substituted azetidine dihydrothienopyrimidines and their use as phosphodiesterase inhibitors PDE2A, PDE5A, PDE3A CHRNB4 2831/4885CHRNA3 2936/4885ALDH1A1 379/4885
US-20120329777-A1 Amino-Heterocyclic Compounds PDE9A, PDE2A, PDE10A CHRNB4 187/4885CHRNA3 149/4885ALDH1A1 585/4885
US-11253499-B2 Compounds SDHA, SDHB, FDPS CHRNB4 4816/4885CHRNA3 4782/4885ALDH1A1 207/4885
US-20100190771-A1 AMINO-HETEROCYCLIC COMPOUNDS PDE9A, PDE2A, PDE10A CHRNB4 187/4885CHRNA3 149/4885ALDH1A1 585/4885
US-20210070769-A1 SUBSTITUTED AZETIDINE DIHYDROTHIENOPYRIMIDINES AND THEIR USE AS PHOSPHODIESTERASE INHIBITORS PDE2A, PDE5A, PDE3A CHRNB4 2831/4885CHRNA3 2936/4885ALDH1A1 379/4885
US-20250243208-A1 BICYCLIC HETEROCYCLES AS MRGPRX2 ANTAGONISTS MRGPRX2, MRGPRX1, MRGPRX4 CHRNB4 1579/4885CHRNA3 1061/4885ALDH1A1 3361/4885
US-20220127254-A1 INDAZOLYL-ISOXAZOLE DERIVATIVES FOR THE TREATMENT OF DISEASES SUCH AS CANCER KIT, TNNI3K, CILK1 CHRNB4 2530/4885CHRNA3 1881/4885ALDH1A1 421/4885

“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.