SCHEMBL4035878

SCHEMBL4035878

CNCc1ccc(Br)cc1Cl

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 17/20 0.56
HTR2A P28223 13/20 0.56
KCNH2 Q12809 13/20 0.56
PYCR1 P32322 1/20 0.46
SLC6A2 P23975 3/20 0.43
SLC6A3 Q01959 3/20 0.43
HRH3 Q9Y5N1 1/20 0.42
MAPK1 P28482 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL18319650 0.84 SLC6A4 (0.60) SLC6A4HTR2AKCNH2SLC6A2SLC6A3
SCHEMBL24776466 0.82 SLC6A4 (0.50) SLC6A4HTR2AKCNH2SLC6A2SLC6A3
SCHEMBL30435098 0.82 SLC6A4 (0.50) SLC6A4HTR2AKCNH2SLC6A2SLC6A3
SCHEMBL18503575 0.81 TAAR1 (0.56) SLC6A4HTR2AKCNH2PYCR1
SCHEMBL27471130 0.81 PYCR1 (0.51) SLC6A4HTR2AKCNH2PYCR1MAPK1
SCHEMBL18685094 0.81 CCR5 (0.51) SLC6A4HTR2AKCNH2PYCR1MAPK1
SCHEMBL18685093 0.79 CCR5 (0.48) SLC6A4HTR2AKCNH2PYCR1MAPK1
SCHEMBL29875226 0.79 SLC6A4 (0.56) SLC6A4HTR2AKCNH2SLC6A2SLC6A3
SCHEMBL28879829 0.79 SLC6A4 (0.47) SLC6A4HTR2AKCNH2PYCR1SLC6A2
SCHEMBL2569349 0.79 SLC6A4 (0.56) SLC6A4HTR2AKCNH2SLC6A2SLC6A3

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250388585-A1 PRMT5 INHIBITORS AND USES THEREOF GILEAD SCIENCES INC (US) 2025-12-25 US disclosed
US-12448388-B2 PRMT5 inhibitors and uses thereof GILEAD SCIENCES, INC. (US) 2025-10-21 US disclosed
CN-119156389-A Heterocyclic compounds, compositions thereof and methods of treatment thereof 百济神州有限公司 2024-12-17 CN disclosed
US-20240376110-A1 PRMT5 INHIBITORS AND USES THEREOF GILEAD SCIENCES, INC. 2024-11-14 US disclosed
WO-2024220917-A1 PRMT5 INHIBITORS AND USES THEREOF GILEAD SCIENCES, INC. (US) 2024-10-24 WO disclosed
US-9458110-B2 Phenylpyrazole derivatives as potent ROCK1 and ROCK2 inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2016-10-04 US disclosed
US-20160016910-A1 PHENYLPYRAZOLE DERIVATIVES AS POTENT ROCK1 AND ROCK2 INHIBITORS BRISTOL-MEYERS SQUIBB COMPANY (US) 2016-01-21 US disclosed
US-9126944-B2 Phenylpyrazole derivatives as potent ROCK1 and ROCK2 inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2015-09-08 US disclosed
US-20140243338-A1 PHENYLPYRAZOLE DERIVATIVES AS POTENT ROCK1 AND ROCK2 INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2014-08-28 US disclosed
CN-100497314-C Substituted 4-phenyltetrahydroisoquinolinium, process for their preparation, their use as a medicament, and medicament containing them AVENTIS PHARMA GMBH (DE) 2009-06-10 CN disclosed
EP-1453810-B1 SUBSTITUTED 4-PHENYLTETRAHYDROISOQUINOLINES, METHOD FOR THE PRODUCTION THEREOF, THE USE THEREOF AS MEDICAMENTS, IN ADDITION TO A MEDICAMENT CONTAINING SAME SANOFI AVENTIS DEUTSCHLAND (DE) 2009-03-18 EP disclosed
US-6911453-B2 Substituted 4-phenyltetrahydroisoquinolinium, process for their preparation, their use as a medicament, and medicament containing them AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2005-06-28 US disclosed
CN-1617856-A Substituted 4-phenyltetrahydroisoquinolinium, process for their preparation, their use as a medicament, and medicament containing them AVENTIS PHARMA GMBH (DE) 2005-05-18 CN disclosed
US-20050009864-A1 Substituted 4-phenyltetrahydroisoquinolinium, process for their preparation, their use as a medicament, and medicament containing them AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2005-01-13 US disclosed
EP-1453810-A1 SUBSTITUTED 4-PHENYLTETRAHYDROISOQUINOLINES, METHOD FOR THE PRODUCTION THEREOF, THE USE THEREOF AS MEDICAMENTS, IN ADDITION TO A MEDICAMENT CONTAINING SAME Aventis Pharma Deutschland GmbH (DE) 2004-09-08 EP disclosed
US-20040044211-A1 Substituted 4-phenyltetrahydroisoquinolinium, process for their preparation, their use as a medicament, and medicament containing them SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2004-03-04 US disclosed
WO-2003048129-A1 SUBSTITUTED 4-PHENYLTETRAHYDROISOQUINOLINES, METHOD FOR THE PRODUCTION THEREOF, THE USE THEREOF AS MEDICAMENTS, IN ADDITION TO A MEDICAMENT CONTAINING SAME AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2003-06-12 WO 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-20250388585-A1 PRMT5 INHIBITORS AND USES THEREOF PRMT1, PRMT5, PRMT6 SLC6A4 4460/4885HTR2A 4304/4885KCNH2 3154/4885
US-20240376110-A1 PRMT5 INHIBITORS AND USES THEREOF PRMT5, PRMT1, PRMT9 SLC6A4 4507/4885HTR2A 4425/4885KCNH2 4728/4885
US-20050009864-A1 Substituted 4-phenyltetrahydroisoquinolinium, process for their preparation, their use as a medicament, and medicament containing them ABCB11, SLC10A1, PON1 SLC6A4 45/4885HTR2A 1967/4885KCNH2 1073/4885
US-12448388-B2 PRMT5 inhibitors and uses thereof PRMT5, PRMT1, PRMT9 SLC6A4 4507/4885HTR2A 4425/4885KCNH2 4728/4885
US-20140243338-A1 PHENYLPYRAZOLE DERIVATIVES AS POTENT ROCK1 AND ROCK2 INHIBITORS ROCK1, ROCK2, MYLK SLC6A4 3205/4885HTR2A 2990/4885KCNH2 3561/4885
US-20040044211-A1 Substituted 4-phenyltetrahydroisoquinolinium, process for their preparation, their use as a medicament, and medicament containing them ABCB11, SLC10A1, PON1 SLC6A4 56/4885HTR2A 1982/4885KCNH2 944/4885
US-20160016910-A1 PHENYLPYRAZOLE DERIVATIVES AS POTENT ROCK1 AND ROCK2 INHIBITORS ROCK1, ROCK2, MYLK SLC6A4 3205/4885HTR2A 2990/4885KCNH2 3561/4885

“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.