SCHEMBL16561689

SCHEMBL16561689

Cc1ccc(Cl)cc1-c1cccc(CN)c1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PNMT P11086 1/20 0.55
▸ HTR7 P34969 2/20 0.50
▸ TAAR1 Q96RJ0 2/20 0.49
▸ MRGPRX4 Q96LA9 1/20 0.43
▸ MAP4K4 O95819 1/20 0.43
▸ CSNK2A1 P68400 2/20 0.42
▸ NOS3 P29474 1/20 0.42
▸ NOS1 P29475 1/20 0.42
▸ NOS2 P35228 1/20 0.42
▸ HSD17B3 P37058 1/20 0.41
▸ F10 P00742 1/20 0.40
▸ SHMT1 P34896 1/20 0.40
▸ MAOB P27338 2/20 0.40
▸ USP28 Q96RU2 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ AOC3 Q16853 1/20 0.39
▸ CNR1 P21554 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
SCHEMBL3785045 0.86 HTR7 (0.56) PNMTHTR7TAAR1CSNK2A1NOS3
SCHEMBL16574171 0.85 HTR7 (0.44) HTR7MAP4K4SHMT1CNR1
SCHEMBL16573998 0.84 PRKCI (0.44) HTR7MRGPRX4MAP4K4SHMT1CNR1
SCHEMBL16574007 0.81 ESR2 (0.52) TAAR1MAP4K4CYP3A4CNR1
SCHEMBL21508065 0.80 PNMT (0.50) PNMTHTR7TAAR1MRGPRX4CSNK2A1
SCHEMBL3788421 0.80 HTR7 (0.75) PNMTHTR7TAAR1CSNK2A1NOS3
SCHEMBL16573982 0.78 ALDH1A1 (0.50) MAP4K4MAOBCYP3A4CNR1
SCHEMBL18713972 0.78 PNMT (0.47) PNMTHTR7TAAR1MRGPRX4CSNK2A1
SCHEMBL16574008 0.78 CNR1 (0.46) MAP4K4MAOBCYP3A4CNR1
SCHEMBL5471659 0.77 TAAR1 (0.78) PNMTTAAR1MRGPRX4CSNK2A1MAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11759462-B2 Spirocyclic compounds as tryptophan hydroxylase inhibitors ALTAVANT SCIENCES GMBH 2023-09-19 — — US disclosed
US-10660893-B2 Spirocyclic compounds as tryptophan hydroxylase inhibitors ROIVANT SCIENCES, GmbH (CH) 2020-05-26 — — US disclosed
US-20190282575-A1 SPIROCYCLIC COMPOUNDS AS TRYPTOPHAN HYDROXYLASE INHIBITORS ALTAVANT SCIENCES GMBH (CH) 2019-09-19 — — US disclosed
US-20180092918-A1 SPIROCYCLIC COMPOUNDS AS TRYPTOPHAN HYDROXYLASE INHIBITORS ALTAVANT SCIENCES GMBH (CH) 2018-04-05 — — US disclosed
US-20180092918-A1 SPIROCYCLIC COMPOUNDS AS TRYPTOPHAN HYDROXYLASE INHIBITORS ALTAVANT SCIENCES GMBH (CH) 2018-04-05 — — US disclosed
US-9750740-B2 Spirocyclic compounds as tryptophan hydroxylase inhibitors Kanos Pharmaceuticals, Inc. (US) 2017-09-05 — — US disclosed
US-20170095476-A1 SPIROCYCLIC COMPOUNDS AS TRYPTOPHAN HYDROXYLASE INHIBITORS ALTAVANT SCIENCES GMBH (CH) 2017-04-06 — — US disclosed
US-9512122-B2 Spirocyclic compounds as tryptophan hydroxylase inhibitors KAROS PHARMACEUTICALS, INC. (US) 2016-12-06 — — US disclosed
US-20160096836-A1 SPIROCYCLIC COMPOUNDS AS TRYPTOPHAN HYDROXYLASE INHIBITORS ALTAVANT SCIENCES GMBH (CH) 2016-04-07 — — US disclosed
US-9199994-B2 Spirocyclic compounds as tryptophan hydroxylase inhibitors KAROS PHARMACEUTICALS, INC. (US) 2015-12-01 — — US disclosed
US-20150080393-A1 SPIROCYCLIC COMPOUNDS AS TRYPTOPHAN HYDROXYLASE INHIBITORS ALTAVANT SCIENCES GMBH (CH) 2015-03-19 — — US disclosed
WO-2015035113-A1 SPIROCYCLIC COMPOUNDS AS TRYPTOPHAN HYDROXYLASE INHIBITORS KAROS PHARMACEUTICALS, INC. (US) 2015-03-12 — — 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-10660893-B2 Spirocyclic compounds as tryptophan hydroxylase inhibitors TPH1, TPH2, HTR1A PNMT 107/4885HTR7 17/4885TAAR1 116/4885
US-20150080393-A1 SPIROCYCLIC COMPOUNDS AS TRYPTOPHAN HYDROXYLASE INHIBITORS TPH1, TPH2, HTR1A PNMT 107/4885HTR7 17/4885TAAR1 116/4885
US-20180092918-A1 SPIROCYCLIC COMPOUNDS AS TRYPTOPHAN HYDROXYLASE INHIBITORS TPH1, TPH2, HTR1A PNMT 107/4885HTR7 17/4885TAAR1 116/4885
US-20170095476-A1 SPIROCYCLIC COMPOUNDS AS TRYPTOPHAN HYDROXYLASE INHIBITORS TPH1, TPH2, HTR1A PNMT 107/4885HTR7 17/4885TAAR1 116/4885
US-20160096836-A1 SPIROCYCLIC COMPOUNDS AS TRYPTOPHAN HYDROXYLASE INHIBITORS TPH1, TPH2, HTR1A PNMT 107/4885HTR7 17/4885TAAR1 116/4885
US-11759462-B2 Spirocyclic compounds as tryptophan hydroxylase inhibitors TPH1, TPH2, HTR1A PNMT 107/4885HTR7 17/4885TAAR1 116/4885
US-20190282575-A1 SPIROCYCLIC COMPOUNDS AS TRYPTOPHAN HYDROXYLASE INHIBITORS TPH1, TPH2, HTR1A PNMT 107/4885HTR7 17/4885TAAR1 116/4885

“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.

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