SCHEMBL277679

SCHEMBL277679

NCCc1csc2ccccc12

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 4/20 0.71
CA1 P00915 2/20 0.51
CA2 P00918 2/20 0.51
IDO1 P14902 1/20 0.49
CHRNA7 P36544 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.47
CRHBP P24387 1/20 0.47
CRHR2 Q13324 1/20 0.47
MTNR1A P48039 1/20 0.46
CA12 O43570 1/20 0.43
CA4 P22748 1/20 0.43
CA9 Q16790 1/20 0.43
TAAR1 Q96RJ0 3/20 0.43
MPO P05164 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
NFKB1 P19838 1/20 0.43
HTR1D P28221 1/20 0.43
HTR1B P28222 1/20 0.43

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
SCHEMBL31547776 1.00 CYP2A6 (0.71) CYP2A6CA1CA2IDO1CHRNA7
Hydrochloric Acid SCHEMBL2967756 0.98 CYP2A6 (0.69) CYP2A6CA1CA2IDO1CHRNA7
SCHEMBL5235492 0.89 CYP2A6 (0.67) CYP2A6CA1CA2IDO1CHRNA7
SCHEMBL17101656 0.85 CYP2A6 (0.62) CYP2A6CA1CA2IDO1CHRNA7
SCHEMBL655428 0.83 CYP2A6 (1.00) CYP2A6CA1CA2IDO1CHRNA7
SCHEMBL30830946 0.83 CYP2A6 (1.00) CYP2A6CA1CA2IDO1CHRNA7
Hydrochloric Acid SCHEMBL1237491 0.82 CYP2A6 (0.96) CYP2A6CA1CA2IDO1CHRNA7
SCHEMBL7427114 0.80 CYP2A6 (0.62) CYP2A6CA1CA2IDO1CHRNA7
SCHEMBL1304400 0.80 CYP2A6 (0.62) CYP2A6CA1CA2IDO1CHRNA7
SCHEMBL908324 0.80 CYP2A6 (0.74) CYP2A6CA1CA2IDO1CHRNA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010136037-A1 NOVEL CALCIUM SENSING RECEPTOR MODULATING COMPOUNDS AND PHARMACEUTICAL USE THEREOF LEO PHARMA A/S (DK) 2010-12-02 WO claimed
US-20240400499-A1 NOVEL AMINO ACID DERIVATIVES PEPTIDREAM INC (JP) 2024-12-05 US disclosed
US-11780807-B2 Benzoselenophene, benzothiophene, and benzofuran analogs and methods of modulating the serotonin 5-HT2C receptor Kuleon, LLC (US) 2023-10-10 US disclosed
US-20230257346-A1 BENZOSELENOPHENE AND SELENOPHENOPYRIDINE ANALOGS AND METHODS OF MODULATING THE SEROTONIN 5-HT2C RECEPTOR Kuleon, LLC (US) 2023-08-17 US disclosed
US-20230257346-A1 BENZOSELENOPHENE AND SELENOPHENOPYRIDINE ANALOGS AND METHODS OF MODULATING THE SEROTONIN 5-HT2C RECEPTOR Kuleon, LLC (US) 2023-08-17 US disclosed
WO-2023122135-A1 SEROTONIN RECEPTOR AGONISTS AND METHODS OF MAKING AND USING THE SAME KULEON LLC (US) 2023-06-29 WO disclosed
EP-3212201-B1 NUCLEOSIDE KINASE INHIBITORS BCI PHARMA (FR) 2022-10-19 EP disclosed
EP-3625227-B1 BENZOFURANE AND BENZOTHIOPHENE DERIVATIVES AS PGE2 RECEPTOR MODULATORS IDORSIA PHARMACEUTICALS LTD (CH) 2022-09-14 EP disclosed
US-11325899-B2 Benzofurane and benzothiophene derivatives as PGE2 receptor modulators IDORSIA PHARMACEUTICALS LTD (CH) 2022-05-10 US disclosed
US-20210115031-A1 BENZOFURANE AND BENZOTHIOPHENE DERIVATIVES AS PGE2 RECEPTOR MODULATORS IDORSIA PHARMACEUTICALS LTD (CH) 2021-04-22 US disclosed
EP-0422119-A4 BENZOTHIOPHENE DERIVATIVES USEFUL FOR MODIFYING FEEDING BEHAVIOR AND OBSESSIVE-COMPULSIVE BEHAVIOR 1991-11-13 EP disclosed
EP-0422119-A1 BENZOTHIOPHENE DERIVATIVES USEFUL FOR MODIFYING FEEDING BEHAVIOR AND OBSESSIVE-COMPULSIVE BEHAVIOR NEUREX CORPORATION (US) 1991-04-17 EP disclosed
US-4971974-A ANOREXIGENIC AGENTS, BENZO B!THIENO 2,3-C!PYRIDINE COMPOUNDS NEUREX CORPORATION (US) 1990-11-20 US disclosed
WO-1989012447-A1 BENZOTHIOPHENE DERIVATIVES USEFUL FOR MODIFYING FEEDING BEHAVIOR AND OBSESSIVE-COMPULSIVE BEHAVIOR NEUREX CORPORATION (US) 1989-12-28 WO disclosed
US-4755534-A Propenylamines, pharmaceutical compositions containing them and their use as pharmaceuticals SANDOZ LTD. (CH) 1988-07-05 US disclosed
US-4542022-A FUNGICIDE SANDOZ LTD. (CH) 1985-09-17 US disclosed
EP-0024587-B1 PROPENYLAMINES, PROCESSES FOR THEIR PRODUCTION, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR USE AS PHARMACEUTICALS SANDOZ AG (CH) 1984-11-14 EP disclosed
EP-0024587-A1 Propenylamines, processes for their production, pharmaceutical compositions containing them and their use as pharmaceuticals SANDOZ AG (CH) 1981-03-11 EP disclosed
US-4249003-A Process for polycyclic amines AKTIEBOLAGET LEO (SE) 1981-02-03 US disclosed
US-4249002-A Polycyclic amines and intermediates therefor AKTIEBOLAGET LEO (SE) 1981-02-03 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 (5 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-20210115031-A1 BENZOFURANE AND BENZOTHIOPHENE DERIVATIVES AS PGE2 RECEPTOR MODULATORS PTGER4, PTGER1, PTGER2 CYP2A6 112/4885CA1 4509/4885CA2 2932/4885
US-11780807-B2 Benzoselenophene, benzothiophene, and benzofuran analogs and methods of modulating the serotonin 5-HT2C receptor HTR2C, HTR2A, HTR3C CYP2A6 936/4885CA1 4647/4885CA2 4428/4885
US-20230257346-A1 BENZOSELENOPHENE AND SELENOPHENOPYRIDINE ANALOGS AND METHODS OF MODULATING THE SEROTONIN 5-HT2C RECEPTOR HTR2C, HTR2A, HTR3B CYP2A6 813/4885CA1 4226/4885CA2 3965/4885
US-11325899-B2 Benzofurane and benzothiophene derivatives as PGE2 receptor modulators PTGER4, PTGER1, PTGER2 CYP2A6 112/4885CA1 4509/4885CA2 2932/4885
US-20240400499-A1 NOVEL AMINO ACID DERIVATIVES BCAT1, BCAT2, PELP1 CYP2A6 4365/4885CA1 3825/4885CA2 3956/4885

“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.