SCHEMBL6941780

SCHEMBL6941780

NC1CCN(Cc2ccccc2OC(F)(F)F)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DCPS Q96C86 1/20 0.53
MAPT P10636 1/20 0.47
CYP2D6 P10635 1/20 0.46
DPP4 P27487 1/20 0.45
CHRM4 P08173 2/20 0.45
GNAI3 P08754 1/20 0.45
CHRM2 P08172 1/20 0.45
CHRM5 P08912 1/20 0.45
CHRM1 P11229 1/20 0.45
CHRM3 P20309 1/20 0.45
HCRTR1 O43613 1/20 0.45
HCRTR2 O43614 1/20 0.45
PDE2A O00408 1/20 0.44
DRD2 P14416 4/20 0.44
SLC6A3 Q01959 4/20 0.44
EPHX2 P34913 4/20 0.44
C5AR1 P21730 1/20 0.42
SLC6A2 P23975 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2J2 P51589 1/20 0.42

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
SCHEMBL8109175 1.00 DCPS (0.53) DCPSMAPTCYP2D6DPP4CHRM4
SCHEMBL24093239 0.82 DRD2 (0.60) DCPSCYP2D6PDE2ADRD2SLC6A3
SCHEMBL6941984 0.81 CHRM3 (0.66) MAPTCYP2D6CHRM4GNAI3CHRM2
SCHEMBL8110360 0.81 CHRM3 (0.66) MAPTCYP2D6CHRM4GNAI3CHRM2
SCHEMBL19974180 0.79 SLC6A4 (0.59) DCPSCYP2D6GNAI3CHRM2DRD2
SCHEMBL2095321 0.79 SLC6A3 (0.49) DCPSCYP2D6HCRTR1HCRTR2PDE2A
SCHEMBL27891441 0.79 CYP2A13 (0.58) DCPSCYP2D6DRD2SLC6A3EPHX2
Hydrochloric Acid SCHEMBL11539098 0.79 CHRM3 (0.64) MAPTCYP2D6CHRM4GNAI3CHRM2
SCHEMBL6944191 0.78 KDM4E (0.63) CYP2D6CHRM1C5AR1CYP2C9
SCHEMBL15821737 0.76 FNTA (0.48) CHRM4EPHX2CYP2C9CYP2J2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (1 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-20030105098-A1 6,9-disubstituted 2-[trans-(4-aminocyclohexyl) amino] purines CDK6, CDK5, CDK2 DCPS 339/4885MAPT 2525/4885CYP2D6 1607/4885

“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.