SCHEMBL6944202

SCHEMBL6944202

O=C1CCN(Cc2cccs2)CC1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.64
DRD4 P21917 10/20 0.57
DRD3 P35462 7/20 0.57
DRD2 P14416 6/20 0.53
DRD5 P21918 4/20 0.53
HSD17B10 Q99714 3/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
ALDH1A1 P00352 3/20 0.50
KDM4E B2RXH2 3/20 0.50
TSHR P16473 2/20 0.50
ALOX15 P16050 1/20 0.50
CASP1 P29466 1/20 0.50
CASP7 P55210 1/20 0.50
DRD1 P21728 1/20 0.49
SIGMAR1 Q99720 1/20 0.48
MAPT P10636 2/20 0.48
POLB P06746 1/20 0.48
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
CHRM2 P08172 1/20 0.46

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
SCHEMBL8114202 1.00 HTT (0.64) HTTDRD4DRD3DRD2DRD5
SCHEMBL8563268 0.83 HRH3 (0.47) HTTALDH1A1SIGMAR1
SCHEMBL7050984 0.81 HTT (0.72) HTTDRD4DRD3DRD2DRD5
SCHEMBL8168957 0.79 HTT (0.70) HTTDRD4DRD3DRD2DRD5
SCHEMBL2975841 0.79 HTT (0.70) HTTDRD4DRD3DRD2DRD5
SCHEMBL6947287 0.79 HTT (0.60) HTTDRD4DRD3DRD2DRD5
SCHEMBL8099118 0.79 HTT (0.60) HTTDRD4DRD3DRD2DRD5
SCHEMBL6555514 0.78 HTT (1.00) HTTDRD4DRD3DRD2DRD5
SCHEMBL14662685 0.78 HTT (0.68) HTTDRD4DRD3DRD2DRD5
SCHEMBL28588828 0.78 HTT (0.68) HTTDRD4DRD3DRD2DRD5

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-20160251374-A1 FILAMIN A BINDING ANTI-INFLAMMATORY AND ANALGESIC BURNS BARBIER LINDSAY (US) 2016-09-01 US disclosed
US-9340558-B2 Filamin a binding anti-inflammatory and analgesic PAIN THERAPEUTICS INC. (US) 2016-05-17 US disclosed
US-8653068-B2 Filamin A binding anti-inflammatory and analgesic PAIN THERAPEUTICS, INC. (US) 2014-02-18 US disclosed
US-8580808-B2 Filamin A-binding anti-inflammatory analgesic Pain Therapeutic, Inc. (US) 2013-11-12 US disclosed
US-8580809-B2 Filamin A-binding anti-inflammatory analgesic PAIN THERAPEUTICS, INC. (US) 2013-11-12 US disclosed
US-20110105487-A1 FILAMIN A BINDING ANTI-INFLAMMATORY AND ANALGESIC PAIN THERAPEUTICS 2011-05-05 US disclosed
US-20110105484-A1 FILAMIN A-BINDING ANTI-INFLAMMATORY ANALGESIC PAIN THERAPEUTICS 2011-05-05 US disclosed
US-20110105481-A1 FILAMIN A BINDING ANTI-INFLAMMATORY AND ANALGESIC PAIN THERAPEUTICS 2011-05-05 US disclosed
US-20110105547-A1 FILAMIN A-BINDING ANTI-INFLAMMATORY ANALGESIC PAIN THERAPEUTICS 2011-05-05 US disclosed
CN-1143858-C 6, 9-disubstituted 2- [ trans- (aminocyclohexyl) amino ] purines, compositions and uses thereof ������ҩ�����޹�˾ 2004-03-31 CN disclosed
US-6642231-B2 Antineoplastic agents, treatment for neuronal injury and degeneration AVENTIS PHARMACEUTICALS INC. 2003-11-04 US disclosed
EP-1056744-B1 6,9-DISUBSTITUTED 2- TRANS-(4- AMINOCYCLOHEXYL) AMINO]PURINES AVENTIS PHARMA INC (US) 2003-10-22 EP disclosed
US-20030105098-A1 6,9-disubstituted 2-[trans-(4-aminocyclohexyl) amino] purines AVENTISUB II INC. 2003-06-05 US disclosed
US-6479487-B1 INHIBIT CYCLIN DEPENDENT KINASES, PARTICULARLY CDK-2; ANTIAPOPTOSIS AGENT; INHIBITS DEVELOPMENT OF NEOPLASMS AVENTIS PHARMACEUTICALS INC. 2002-11-12 US disclosed
CN-1292789-A 6,9-disubstituted 2-[trans-(4-aminocyclohexyl) amino] purines AWANDIS PHARMACEUTICAL CORP (US) 2001-04-25 CN disclosed
EP-1056744-A1 6,9-DISUBSTITUTED 2- TRANS-(4- AMINOCYCLOHEXYL) AMINO]PURINES Aventis Pharmaceuticals Inc. (US) 2000-12-06 EP disclosed
WO-1999043675-A1 6,9-DISUBSTITUTED 2-[TRANS-(4- AMINOCYCLOHEXYL) AMINO]PURINES AVENTIS PHARMACEUTICALS INC. (US) 1999-09-02 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-20160251374-A1 FILAMIN A BINDING ANTI-INFLAMMATORY AND ANALGESIC FLNA, FLNB, OPRK1 HTT 3459/4885DRD4 588/4885DRD3 318/4885
US-20110105487-A1 FILAMIN A BINDING ANTI-INFLAMMATORY AND ANALGESIC FLNA, FLNB, FPR1 HTT 3123/4885DRD4 1071/4885DRD3 574/4885
US-20110105484-A1 FILAMIN A-BINDING ANTI-INFLAMMATORY ANALGESIC FLNA, FLNB, OPRK1 HTT 3666/4885DRD4 1322/4885DRD3 667/4885
US-20030105098-A1 6,9-disubstituted 2-[trans-(4-aminocyclohexyl) amino] purines CDK6, CDK5, CDK2 HTT 3776/4885DRD4 793/4885DRD3 2204/4885
US-20110105547-A1 FILAMIN A-BINDING ANTI-INFLAMMATORY ANALGESIC FLNA, FLNB, OPRK1 HTT 3666/4885DRD4 1322/4885DRD3 667/4885
US-20110105481-A1 FILAMIN A BINDING ANTI-INFLAMMATORY AND ANALGESIC FLNA, FLNB, OPRK1 HTT 3459/4885DRD4 588/4885DRD3 318/4885

“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.