SCHEMBL1972827

SCHEMBL1972827

CCC(C(N)=O)c1c[nH]c2ccccc12

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GPR84 Q9NQS5 3/20 0.59
▸ KMT2A Q03164 4/20 0.55
▸ MEN1 O00255 3/20 0.55
▸ MAPT P10636 3/20 0.55
▸ PKM P14618 1/20 0.55
▸ FFAR1 O14842 2/20 0.53
▸ HTR2A P28223 2/20 0.53
▸ HTR2C P28335 1/20 0.53
▸ HTR2B P41595 1/20 0.53
▸ CTSK P43235 1/20 0.49
▸ ALDH1A1 P00352 1/20 0.49
▸ ATM Q13315 1/20 0.49
▸ MGAM O43451 2/20 0.48
▸ GAA P10253 2/20 0.48
▸ SI P14410 2/20 0.48
▸ MGAM2 Q2M2H8 2/20 0.48
▸ KDM4E B2RXH2 3/20 0.46
▸ STAT3 P40763 1/20 0.46
▸ PBRM1 Q86U86 1/20 0.45
▸ NOD2 Q9HC29 1/20 0.45

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
SCHEMBL148211 0.86 MAPT (0.68) GPR84KMT2AMEN1MAPTPKM
SCHEMBL4099306 0.85 HTR2A (0.54) GPR84KMT2AMEN1MAPTPKM
SCHEMBL24723275 0.82 GPR84 (0.56) GPR84KMT2AMEN1MAPTPKM
SCHEMBL29003653 0.81 NR4A2 (0.46) GPR84KMT2AMEN1MAPTPKM
SCHEMBL28034597 0.81 GPR84 (0.55) GPR84KMT2AMEN1MAPTPKM
SCHEMBL29003655 0.81 RAB9A (0.49) MAPTHTR2AALDH1A1GAAKDM4E
SCHEMBL29003630 0.80 TDO2 (0.44) GPR84HTR2AHTR2CMPO
SCHEMBL9235264 0.80 GABRA1 (0.47) GPR84KMT2AMEN1HTR2AHIF1A
SCHEMBL28783934 0.80 GPR84 (0.54) GPR84KMT2AMEN1MAPTPKM
SCHEMBL7890292 0.80 NR4A2 (0.47) GPR84KMT2AMEN1HTR2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101522616-A Indole derivatives, process for their preparation and pharmaceutical compositions containing them SERVIER LAB (FR) 2009-09-02 — — CN claimed
CN-1181050-C Novel substituted dimeric compounds, its preparing process and medicinal compsns. containing same ɪά��ʵ���� 2004-12-22 — — CN claimed
CN-1273967-A Novel substituted dimeric compounds, its preparing process and medicinal compsns. containing same ADIR (FR) 2000-11-22 — — CN claimed
CN-113943244-B Sulfur-containing gamma, gamma-diindolylbutyramide compounds prepared by difunctional reactions 温州大学 2023-05-23 — — CN disclosed
CN-105916840-B Benzazolyl compounds 安斯泰来制药株式会社 2019-01-08 — — CN disclosed
US-9206156-B2 Substituted indole derivatives Grünenthal GmbH (DE) 2015-12-08 — — US disclosed
US-20130116283-A1 Substituted indole derivatives Grünenthal GmbH (DE) 2013-05-09 — — US disclosed
US-20110212968-A1 PHENETHYLAMIDE DERIVATIVES AND THEIR HETEROCYCLIC ANALOGUES ACTELION PHARMACEUTICALS LTD. (CH) 2011-09-01 — — US disclosed
EP-2334643-A1 PHENETHYLAMIDE DERIVATIVES AND THEIR HETEROCYCLIC ANALOGUES Actelion Pharmaceuticals Ltd. (CH) 2011-06-22 — — EP disclosed
WO-2010044054-A1 PHENETHYLAMIDE DERIVATIVES AND THEIR HETEROCYCLIC ANALOGUES ACTELION PHARMACEUTICALS LTD (CH) 2010-04-22 — — WO disclosed
CN-101522616-A Indole derivatives, process for their preparation and pharmaceutical compositions containing them SERVIER LAB (FR) 2009-09-02 — — CN disclosed
US-20090215828-A1 Substituted indole derivatives GRUNENTHAL GMBH (DE) 2009-08-27 — — US disclosed
CN-1181050-C Novel substituted dimeric compounds, its preparing process and medicinal compsns. containing same ɪά��ʵ���� 2004-12-22 — — CN disclosed
CN-1128142-C Novel substituted dipolymer compounds, prepn. method therefor, pharmaceutical compositions contg. same ADIR (FR) 2003-11-19 — — CN disclosed
CN-1277962-A Novel substituted dipolymer compounds, prepn. method therefor, pharmaceutical compositions contg. same ADIR (FR) 2000-12-27 — — CN disclosed
CN-1273967-A Novel substituted dimeric compounds, its preparing process and medicinal compsns. containing same ADIR (FR) 2000-11-22 — — CN 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 (3 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-20090215828-A1 Substituted indole derivatives IDO1, IDO2, TPH1 GPR84 1994/4885KMT2A 2203/4885MEN1 3427/4885
US-20130116283-A1 Substituted indole derivatives IDO1, IDO2, TPH1 GPR84 1994/4885KMT2A 2203/4885MEN1 3427/4885
US-20110212968-A1 PHENETHYLAMIDE DERIVATIVES AND THEIR HETEROCYCLIC ANALOGUES HCRTR2, HCRTR1, HRH3 GPR84 73/4885KMT2A 253/4885MEN1 525/4885

“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.

Send feedback