SCHEMBL206004

SCHEMBL206004

Clc1cc(N2CC[CH]CC2)ncn1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
OGA O60502 1/20 0.43
CYP1A2 P05177 3/20 0.38
CYP2C19 P33261 2/20 0.38
ALOX15 P16050 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
NPC1 O15118 1/20 0.37
TSHR P16473 1/20 0.37
RECQL P46063 1/20 0.37
RAB9A P51151 1/20 0.37
KMO O15229 1/20 0.36
HRH4 Q9H3N8 3/20 0.35
CYP17A1 P05093 1/20 0.35
CYP2D6 P10635 1/20 0.34
MAPT P10636 1/20 0.34
HTT P42858 1/20 0.34
LRRK2 Q5S007 1/20 0.33
AKT1 P31749 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
P4HTM Q9NXG6 1/20 0.32

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
SCHEMBL4877694 0.84 SMN1; SMN2 (0.46) OGACYP1A2CYP2C19ALOX15SMN1; SMN2
SCHEMBL937322 0.84 SMN1; SMN2 (0.50) OGACYP1A2CYP2C19ALOX15SMN1; SMN2
SCHEMBL2570788 0.82 SMN1; SMN2 (0.53) OGACYP1A2SMN1; SMN2NPC1TSHR
SCHEMBL5122657 0.81 OGA (0.43) OGACYP1A2CYP2C19ALOX15SMN1; SMN2
SCHEMBL4937062 0.79 BPTF (0.51) CYP1A2CYP2C19HRH4
SCHEMBL2570384 0.79 CYP2C19 (0.58) OGACYP1A2CYP2C19SMN1; SMN2NPC1
Hydrochloric Acid SCHEMBL4818046 0.78 BPTF (0.50) CYP1A2CYP2C19HRH4
SCHEMBL6894413 0.78 OGA (0.44) OGACYP1A2CYP2C19ALOX15SMN1; SMN2
SCHEMBL16854339 0.77 HTR3E (0.53) OGACYP1A2ALOX15TSHRHRH4
SCHEMBL16894257 0.77 OGA (0.43) OGACYP1A2CYP2C19ALOX15LRRK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107108613-B Bromodomain inhibitors and uses thereof 基因泰克公司 2020-02-25 CN disclosed
CN-107108613-A Bu Luomo domain inhibitor and application thereof 基因泰克公司 2017-08-29 CN disclosed
EP-1925611-B1 OPTICALLY ACTIVE DIAMINE DERIVATIVE AND PROCESS FOR PRODUCING THE SAME DAIICHI SANKYO CO LTD (JP) 2016-04-13 EP disclosed
CN-103214414-A Optically active diamine derivative and process for producing the same DAIICHI SANKYO CO LTD 2013-07-24 CN disclosed
CN-101263110-B Optically active diamine derivative and process for producing the same DAIICHI SANKYO CO LTD 2013-04-03 CN disclosed
US-8088796-B2 Triamine derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-01-03 US disclosed
US-20110312990-A1 Diamine Derivatives DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-12-22 US disclosed
EP-2343290-A1 Diamine derivatives as factor X inhibitors Daiichi Sankyo Company, Limited (JP) 2011-07-13 EP disclosed
US-20110077266-A1 Diamine Derivatives DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-03-31 US disclosed
US-20100099660-A1 METHOD FOR TREATING THROMBOSIS OR EMBOLISM AND RELATED DISEASES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2010-04-22 US disclosed
US-20060252837-A1 Cyclic diamine derivatives useful as agents for preventing and/or treating cerebral infarction, cerebral embolism, myocardial infarction, angina pectoris, pulmonary infarction, pulmonary embolism; inhibit activated blood coagulation factor X DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2006-11-09 US disclosed
CN-1751025-A Diamine derivatives DAIICHI SEIYAKU CO (JP) 2006-03-22 CN disclosed
CN-1745071-A Novel ethylenediamine derivative DAIICHI SEIYAKU CO (JP) 2006-03-08 CN disclosed
US-20050245565-A1 Diamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2005-11-03 US disclosed
EP-1577301-A1 DIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2005-09-21 EP disclosed
EP-1577302-A1 NOVEL ETHYLENEDIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2005-09-21 EP disclosed
US-20050119486-A1 Diamine derivatives DAIICHI SANKYO COMPANY, LIMITED (JP) 2005-06-02 US disclosed
US-20050020645-A1 Diamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2005-01-27 US disclosed
EP-1415992-A1 DIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-05-06 EP disclosed
EP-1405852-A1 DIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-04-07 EP 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 (7 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-20100099660-A1 METHOD FOR TREATING THROMBOSIS OR EMBOLISM AND RELATED DISEASES F2, PLAT, MPL OGA 3890/4885CYP1A2 1707/4885CYP2C19 257/4885
US-20060252837-A1 Cyclic diamine derivatives useful as agents for preventing and/or treating cerebral infarction, cerebral embolism, myocardial infarction, angina pectoris, pulmonary infarction, pulmonary embolism; inhibit activated blood coagulation factor X F2, C1S, C9 OGA 4669/4885CYP1A2 3257/4885CYP2C19 1910/4885
US-20050020645-A1 Diamine derivatives C9, C1S, C1R OGA 4589/4885CYP1A2 2631/4885CYP2C19 1616/4885
US-20050245565-A1 Diamine derivatives C9, C1S, C1R OGA 4589/4885CYP1A2 2631/4885CYP2C19 1616/4885
US-20050119486-A1 Diamine derivatives C9, C1S, C1R OGA 4589/4885CYP1A2 2631/4885CYP2C19 1616/4885
US-20110077266-A1 Diamine Derivatives F2, TFPI, F3 OGA 1224/4885CYP1A2 2267/4885CYP2C19 1344/4885
US-20110312990-A1 Diamine Derivatives C9, C1S, C1R OGA 4625/4885CYP1A2 2535/4885CYP2C19 1647/4885

“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.