SCHEMBL1843654

SCHEMBL1843654

CCc1nc(C)c(CO)s1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
COMT P21964 1/20 0.39
NPC1 O15118 1/20 0.38
GAA P10253 1/20 0.38
MAPK1 P28482 1/20 0.38
RAB9A P51151 1/20 0.38
FBP1 P09467 1/20 0.33
CYP1A2 P05177 1/20 0.31
HRH2 P25021 1/20 0.31
HRH1 P35367 1/20 0.31
HRH4 Q9H3N8 1/20 0.31
OPRM1 P35372 1/20 0.30
NMT1 P30419 1/20 0.30

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
SCHEMBL15796727 0.84 COMT (0.42) COMTNPC1GAAMAPK1RAB9A
SCHEMBL7613775 0.83 CYP1A2 (0.33) COMTGAACYP1A2HRH2HRH1
SCHEMBL260055 0.83 CYP1A2 (0.37) COMTNPC1GAAMAPK1RAB9A
Bromide SCHEMBL5591179 0.82 CYP1A2 (0.36) COMTNPC1GAAMAPK1RAB9A
SCHEMBL14329776 0.78 NPC1 (0.42) NPC1GAAMAPK1RAB9AFBP1
SCHEMBL9950551 0.78 COMT (0.39) COMTNPC1GAAMAPK1RAB9A
SCHEMBL3274275 0.78 POLB (0.37)
SCHEMBL13301451 0.76 MEN1 (0.41) COMTGAACYP1A2
SCHEMBL27748701 0.75
SCHEMBL95057 0.75

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10189839-B2 Tricyclic imidazole compounds as inhibitors of tryptophan hydroxylase ACTELION PHARMACEUTICALS LTD (CH) 2019-01-29 US disclosed
EP-3071578-B1 TRICYCLIC PIPERIDINE COMPOUNDS ACTELION PHARMACEUTICALS LTD (CH) 2018-01-10 EP disclosed
US-9765092-B2 Tricyclic piperidine compounds ACTELION PHARMACEUTICALS LTD (CH) 2017-09-19 US disclosed
EP-3071567-B1 TRICYCLIC IMIDAZOLE COMPOUNDS AS INHIBITORS OF TRYPTOPHAN HYDROXYLASE ACTELION PHARMACEUTICALS LTD (CH) 2017-09-06 EP disclosed
EP-2838891-B1 AROMATIC RING COMPOUND AS GHRELIN O-ACYLTRANSFERASE INHIBITOR TAKEDA PHARMACEUTICALS CO (JP) 2017-08-02 EP disclosed
US-20160289232-A1 TRICYCLIC IMIDAZOLE COMPOUNDS AS INHIBITORS OF TRYPTOPHAN HYDROXYLASE ACTELION PHARMACEUTICALS LTD (CH) 2016-10-06 US disclosed
EP-3071578-A1 TRICYCLIC PIPERIDINE COMPOUNDS Actelion Pharmaceuticals Ltd (CH) 2016-09-28 EP disclosed
EP-3071567-A1 TRICYCLIC IMIDAZOLE COMPOUNDS AS INHIBITORS OF TRYPTOPHAN HYDROXYLASE Actelion Pharmaceuticals Ltd (CH) 2016-09-28 EP disclosed
US-20160272655-A1 TRICYCLIC PIPERIDINE COMPOUNDS ACTELION PHARMACEUTICALS LTD (CH) 2016-09-22 US disclosed
US-9238639-B2 Aromatic ring compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-01-19 US disclosed
CN-102050758-A Novel amide derivatives and medicinal use thereof MITSUBISHI TANABE PHARMA CORP 2011-05-11 CN disclosed
US-7855297-B2 Amide derivatives and medicinal use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-12-21 US disclosed
US-20100041656-A1 Novel amide derivatives and medicinal use thereof NAKAMURA MITSUBARU 2010-02-18 US disclosed
US-20040138223-A1 Novel amide derivatives and medicinal use thereof ugs MITSUBISHI TANABE PHARMA CORPORATION (JP) 2004-07-15 US disclosed
CN-1474803-A Novel amide derivative and medical use thereof ������ҩ��ʽ���� 2004-02-11 CN disclosed
EP-1318140-A1 NOVEL AMIDE DERIVATIVES AND MEDICINAL USE THEREOF UGS Mitsubishi Pharma Corporation (JP) 2003-06-11 EP disclosed
US-6515124-B2 (Z)-2-((2-bromo-4-(((3-hydroxybenzyl)amino)carbonyl)benzoyl) -amino)pent-2-enoic acid, for example; useful for treating psoriasis HOFFMAN-LA ROCHE INC. 2003-02-04 US disclosed
EP-1261579-A1 DEHYDROAMINO ACIDS F. HOFFMANN-LA ROCHE AG (CH) 2002-12-04 EP disclosed
US-20020161237-A1 Dehydroamino acids HOFFMANN-LA ROCHE INC. 2002-10-31 US disclosed
WO-2001058853-A1 DEHYDROAMINO ACIDS F. HOFFMANN-LA ROCHE AG (CH) 2001-08-16 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 (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-20020161237-A1 Dehydroamino acids HSD3B1, CYP8B1, TH COMT 2959/4885NPC1 3708/4885GAA 4521/4885
US-10189839-B2 Tricyclic imidazole compounds as inhibitors of tryptophan hydroxylase TPH1, TPH2, MAOB COMT 74/4885NPC1 2247/4885GAA 1316/4885
US-20160272655-A1 TRICYCLIC PIPERIDINE COMPOUNDS TPH1, HTR1B, HTR1A COMT 460/4885NPC1 1088/4885GAA 2588/4885
US-20100041656-A1 Novel amide derivatives and medicinal use thereof C5AR1, C5AR2, C3AR1 COMT 2775/4885NPC1 3015/4885GAA 3289/4885
US-20160289232-A1 TRICYCLIC IMIDAZOLE COMPOUNDS AS INHIBITORS OF TRYPTOPHAN HYDROXYLASE TPH1, TPH2, MAOB COMT 74/4885NPC1 2247/4885GAA 1316/4885
US-20040138223-A1 Novel amide derivatives and medicinal use thereof ugs C5AR1, C5AR2, C1S COMT 3495/4885NPC1 2771/4885GAA 1702/4885

“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.