SCHEMBL3550940

SCHEMBL3550940

Cc1nc(C(F)(F)F)ccc1C(N)=O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.54
NNMT P40261 1/20 0.53
GAA P10253 1/20 0.51
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
RPS6KB1 P23443 1/20 0.42
GABRP O00591 1/20 0.41
GABRD O14764 1/20 0.41
GABRA1 P14867 1/20 0.41
GABRB1 P18505 1/20 0.41
GABRG2 P18507 1/20 0.41
GABRB3 P28472 1/20 0.41
GABRA5 P31644 1/20 0.41
GABRA3 P34903 1/20 0.41
GABRA2 P47869 1/20 0.41
GABRB2 P47870 1/20 0.41
GABRA4 P48169 1/20 0.41
GABRE P78334 1/20 0.41
GABRA6 Q16445 1/20 0.41
GABRG1 Q8N1C3 1/20 0.41

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
SCHEMBL30572236 1.00 LMNA (0.54) LMNANNMTGAANPC1RAB9A
SCHEMBL27656222 0.85 LMNA (0.56) LMNAGAANPC1RAB9A
SCHEMBL4195397 0.84 LMNA (0.58) LMNAGAANPC1RAB9A
SCHEMBL148900 0.84 LMNA (0.55) LMNAGAANPC1RAB9AGABRP
SCHEMBL30102436 0.84 LMNA (0.55) LMNAGAANPC1RAB9AGABRP
SCHEMBL192851 0.82 LMNA (0.54) LMNAGAANPC1RAB9A
SCHEMBL5264374 0.81 LMNA (0.50) LMNAGAANPC1RAB9AGABRP
SCHEMBL3633773 0.80 P2RX7 (0.40) LMNANNMTGAANPC1RAB9A
SCHEMBL4191868 0.80 IKBKB (0.42) LMNANNMTGAANPC1RAB9A
SCHEMBL12775473 0.79 LMNA (0.42) LMNANNMTGAANPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230265054-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING GENENTECH, INC. (US) 2023-08-24 US disclosed
EP-2935292-B1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2019-04-10 EP disclosed
WO-2016173948-A1 INDAZOLOPYRIMIDINONES AS FIBRINOLYSIS INHIBITORS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-11-03 WO disclosed
CN-102964294-A Pyridyl inhibitors of hedgehog signalling GENENTECH INC 2013-03-13 CN disclosed
US-7851638-B2 Cyclohexanesulfonyl derivatives as GLYT1 inhibitors to treat schizophrenia MERCK SHARP & DOHME LIMITED (GB) 2010-12-14 US disclosed
US-20100105693-A1 Modulators of Muscarinic Receptors VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-04-29 US disclosed
US-20100029726-A1 CYCLOHEXANESULFONYL DERIVATIVES AS GLYT1 INHIBITORS TO TREAT SCHIZOPHRENIA MERCK SHARP & DOHME (UK) LIMITED (GB) 2010-02-04 US disclosed
US-7626056-B2 2,4-Dichloro-N-(4-cyclopropylmethanesulfonyl-1-cyclopropylmethylcyclohexyl-methyl) benzamide; glutamatergic neurotransmission dysfunction and diseases; dementia; antidepressants; learning enhancement; cognition activators; attention deficit disorders; autism; eating disorders; anxiolytic agents MERCK SHARP & DOHME LIMITED (GB) 2009-12-01 US disclosed
US-20090137558-A1 Pyridine based compounds useful as intermediates for pharmaceutical or agricultural end-products PEAKDALE MOLECULAR LIMITED (GB) 2009-05-28 US disclosed
US-20090137558-A1 Pyridine based compounds useful as intermediates for pharmaceutical or agricultural end-products PEAKDALE MOLECULAR LIMITED (GB) 2009-05-28 US disclosed
WO-2008018639-A2 GLYCINE TRANSPORTER INHIBITOR TAISHO PHARMACEUTICAL CO., LTD. (JP) 2008-02-14 WO disclosed
CN-101072755-A Pyridyl inhibitors of Hedgehog signaling GENENTECH INC (US) 2007-11-14 CN disclosed
US-20060276655-A1 Cyclohexanesulfonyl derivatives as GlyT1 inhibitors to treat schizophrenia MERCK SHARP & DOHME (UK) LIMITED (GB) 2006-12-07 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-20060276655-A1 Cyclohexanesulfonyl derivatives as GlyT1 inhibitors to treat schizophrenia GLRA1, GNMT, MGAT1 LMNA 4558/4885NNMT 443/4885GAA 761/4885
US-20230265054-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING SHH, GLI1, SMO LMNA 3716/4885NNMT 1525/4885GAA 4713/4885
US-20100105693-A1 Modulators of Muscarinic Receptors CHRM3, CHRM5, CHRM2 LMNA 4371/4885NNMT 582/4885GAA 4164/4885
US-20100029726-A1 CYCLOHEXANESULFONYL DERIVATIVES AS GLYT1 INHIBITORS TO TREAT SCHIZOPHRENIA GLRA1, GNMT, MGAT1 LMNA 4558/4885NNMT 443/4885GAA 761/4885
US-20090137558-A1 Pyridine based compounds useful as intermediates for pharmaceutical or agricultural end-products PNPO, CYP4B1, PDXK LMNA 3915/4885NNMT 408/4885GAA 875/4885

“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.