SCHEMBL2139359

SCHEMBL2139359

CCCN(CCC)c1ccc([C@H](N)[C@@H](N)c2ccc(N(CCC)CCC)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 6/20 0.44
MEN1 O00255 1/20 0.41
HTT P42858 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ALDH1A1 P00352 2/20 0.39
TSHR P16473 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
PSMD14 O00487 1/20 0.39
CYP3A4 P08684 1/20 0.39
MAPK1 P28482 1/20 0.39
RECQL P46063 1/20 0.39
GFER P55789 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
EGFR P00533 1/20 0.38
ERBB2 P04626 1/20 0.38
NPSR1 Q6W5P4 1/20 0.36
DPP4 P27487 2/20 0.36
ESRRG P62508 1/20 0.35
CASR P41180 1/20 0.34

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
SCHEMBL1305857 1.00 CNR2 (0.44) CNR2MEN1HTTKMT2ASMN1; SMN2
SCHEMBL2138070 1.00 CNR2 (0.44) CNR2MEN1HTTKMT2ASMN1; SMN2
SCHEMBL659228 0.83 CNR2 (0.46) CNR2MEN1HTTKMT2ASMN1; SMN2
SCHEMBL2140323 0.83 ALDH1A1 (0.58) CNR2ALDH1A1TSHRL3MBTL1PSMD14
SCHEMBL2139215 0.83 ALDH1A1 (0.58) CNR2ALDH1A1TSHRL3MBTL1PSMD14
SCHEMBL1305288 0.83 ALDH1A1 (0.58) CNR2ALDH1A1TSHRL3MBTL1PSMD14
SCHEMBL7150414 0.82 EGFR (0.47) CNR2MEN1HTTKMT2ASMN1; SMN2
SCHEMBL12056655 0.81 EGFR (0.46) CNR2MEN1HTTKMT2ASMN1; SMN2
SCHEMBL28495868 0.78 MEN1 (0.47) CNR2MEN1HTTKMT2ASMN1; SMN2
SCHEMBL5195399 0.78 GRK6 (0.49) CNR2MEN1HTTKMT2ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8586498-B2 Homogeneous asymmetric hydrogenation catalyst TAKASAGO INTERNATIONAL CORPORATION (JP) 2013-11-19 US disclosed
US-8497400-B2 Homogeneous asymmetric hydrogenation process TAKASAGO INTERNATIONAL CORPORATION (JP) 2013-07-30 US disclosed
US-8481791-B2 Homogeneous asymmetric hydrogenation process TAKASAGO INTERNATIONAL CORPORATION (JP) 2013-07-09 US disclosed
US-20110065929-A1 HOMOGENEOUS ASYMMETRIC HYDROGENATION CATALYST TAKASAGO INTERNATIONAL CORPORATION (JP) 2011-03-17 US disclosed
US-7902110-B2 Homogeneous asymmetric hydrogenation catalyst TAKASAGO INTERNATIONAL CORPORATION (JP) 2011-03-08 US disclosed
US-7754889-B2 1,2-di(4-N,N-dimethylaminophenyl)ethylene-1,2-diamine catalyst complex for asymmetric synthesis; for producing an optically active alcohol using the catalyst to asymmetrically reduce a ketone TAKASAGO INTERNATIONAL CORPORATION (JP) 2010-07-13 US disclosed
US-20100168440-A1 Homogeneous Asymmetric Hydrogenation Process TAKASAGO INTERNATIONAL CORPORATION (JP) 2010-07-01 US disclosed
US-20100137615-A1 Homogeneous Asymmetric Hydrogenation Process TAKASAGO INTERNATIONAL CORPORATION (JP) 2010-06-03 US disclosed
EP-2095875-A1 Homogeneous asymmetric hydrogenation catalyst Takasago International Corporation (JP) 2009-09-02 EP disclosed
US-20090203927-A1 Homogeneous asymmetric hydrogenation catalyst TAKASAGO INTERNATIONAL CORPORATION (JP) 2009-08-13 US disclosed
EP-1911516-A1 HOMOGENEOUS ASYMMETRIC HYDROGENATION CATALYST Takasago International Corporation (JP) 2008-04-16 EP disclosed
US-20070149831-A1 1,2-di(4-N,N-dimethylaminophenyl)ethylene-1,2-diamine catalyst complex for asymmetric synthesis; for producing an optically active alcohol using the catalyst to asymmetrically reduce a ketone TAKASAGO INTERNATIONAL CORPORATION (JP) 2007-06-28 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-20100137615-A1 Homogeneous Asymmetric Hydrogenation Process HDHD5, HHAT, HVCN1 CNR2 2039/4885MEN1 3092/4885HTT 521/4885
US-20090203927-A1 Homogeneous asymmetric hydrogenation catalyst HDHD5, HHAT, HACL2 CNR2 1863/4885MEN1 2776/4885HTT 487/4885
US-20110065929-A1 HOMOGENEOUS ASYMMETRIC HYDROGENATION CATALYST HDHD5, HHAT, HACL2 CNR2 1863/4885MEN1 2776/4885HTT 487/4885
US-20070149831-A1 1,2-di(4-N,N-dimethylaminophenyl)ethylene-1,2-diamine catalyst complex for asymmetric synthesis; for producing an optically active alcohol using the catalyst to asymmetrically reduce a ketone ADH1C, ADH1A, ADH5 CNR2 645/4885MEN1 2432/4885HTT 4599/4885
US-20100168440-A1 Homogeneous Asymmetric Hydrogenation Process HDHD5, HHAT, HVCN1 CNR2 2039/4885MEN1 3092/4885HTT 521/4885

“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.