SCHEMBL2069075

SCHEMBL2069075

S=[C]CC1c2ccccc2-c2ccccc21

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.52
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
GPR3 P46089 2/20 0.37
TDO2 P48775 1/20 0.35
ACHE P22303 2/20 0.34
CHRM2 P08172 1/20 0.34
HTR1A P08908 1/20 0.34
ADRA2A P08913 1/20 0.34
CHRM1 P11229 1/20 0.34
DRD1 P21728 1/20 0.34
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34
ADRA1A P35348 1/20 0.34
OPRM1 P35372 1/20 0.34
DRD3 P35462 1/20 0.34
SLC6A3 Q01959 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34
TSHR P16473 1/20 0.33
SLC22A2 O15244 1/20 0.33

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
SCHEMBL7576966 0.78 HTR2A (0.64) HTR2ACA1CA2GPR3TDO2
SCHEMBL8664361 0.77 HTR2A (0.52) HTR2ACA1CA2GPR3TDO2
SCHEMBL73176 0.77 HTR2A (0.52) HTR2ACA1CA2GPR3TDO2
SCHEMBL2435025 0.77 HTR2A (0.52) HTR2ACA1CA2GPR3TDO2
SCHEMBL4994372 0.76 HTR2A (0.56) HTR2ACA1CA2GPR3TDO2
SCHEMBL31296479 0.74 HTR2A (0.48) HTR2ACA1CA2GPR3TDO2
SCHEMBL1776672 0.73 HTR2A (0.58) HTR2ACA1CA2GPR3TDO2
SCHEMBL2068350 0.72 CA1 (0.49) HTR2ACA1CA2GPR3TDO2
SCHEMBL5353138 0.72 HTR2A (0.64) HTR2ACA1CA2GPR3TDO2
SCHEMBL7574105 0.70 HTR2A (0.61) HTR2ACA1CA2GPR3TDO2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2095875-B1 Homogeneous asymmetric hydrogenation catalyst TAKASAGO PERFUMERY CO LTD (JP) 2014-10-01 EP disclosed
EP-1911516-B1 HOMOGENEOUS ASYMMETRIC HYDROGENATION PROCESS TAKASAGO PERFUMERY CO LTD (JP) 2014-05-14 EP disclosed
EP-2392400-B1 Homogeneous asymmetric hydrogenation method TAKASAGO PERFUMERY CO LTD (JP) 2014-05-07 EP disclosed
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
EP-2392400-A2 Homogeneous asymmetric hydrogenation catalyst Takasago International Corporation (JP) 2011-12-07 EP 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-7902207-B2 Process for production of amines TAKASAGO INTERNATIONAL CORPORATION (JP) 2011-03-08 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
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-7312347-B2 Substituted optically active disphosphine compound TAKASAGO INTERNATIONAL CORPORATION (JP) 2007-12-25 US disclosed
US-20070293482-A1 Process for Preparing Benzodiazepines NOVARTIS PHARMACEUTICALS CORPORATION (US) 2007-12-20 US disclosed
US-20070142639-A1 Process for production of amines TAKASAGO INTERNATIONAL CORPORATION (JP) 2007-06-21 US disclosed
US-20070073065-A1 Substituted optically active disphosphine compound TAKASAGO INTERNATIONAL CORPORATION (JP) 2007-03-29 US disclosed
WO-2005095425-A1 DITHIOPHOSPHATO-PLATINUM-COMPLEXES FOR THE TREATMENT OF CANCERS PHARMINOX LIMITED (GB) 2005-10-13 WO disclosed
WO-2005090319-A1 PROCESS FOR PREPARING BENZODIAZEPINES ARROW THERAPEUTICS LIMITED (GB) 2005-09-29 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 (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-20100137615-A1 Homogeneous Asymmetric Hydrogenation Process HDHD5, HHAT, HVCN1 HTR2A 2021/4885CA1 2208/4885CA2 2980/4885
US-20090203927-A1 Homogeneous asymmetric hydrogenation catalyst HDHD5, HHAT, HACL2 HTR2A 2277/4885CA1 1609/4885CA2 2530/4885
US-20110065929-A1 HOMOGENEOUS ASYMMETRIC HYDROGENATION CATALYST HDHD5, HHAT, HACL2 HTR2A 2277/4885CA1 1609/4885CA2 2530/4885
US-20070142639-A1 Process for production of amines SMS, CCNT1, PEAK1 HTR2A 1187/4885CA1 1857/4885CA2 993/4885
US-20070293482-A1 Process for Preparing Benzodiazepines CNR1, SIGMAR1, GABRA3 HTR2A 258/4885CA1 1124/4885CA2 947/4885
US-20070073065-A1 Substituted optically active disphosphine compound DHPS, DOHH, DHODH HTR2A 2819/4885CA1 1750/4885CA2 690/4885
US-20100168440-A1 Homogeneous Asymmetric Hydrogenation Process HDHD5, HHAT, HVCN1 HTR2A 2021/4885CA1 2208/4885CA2 2980/4885

“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.