SCHEMBL6797994

SCHEMBL6797994

COc1ccc2c(c1)[C@@H](C)CCC2

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 2/20 0.62
HTR2A P28223 1/20 0.62
HTR2B P41595 1/20 0.62
SIGMAR1 Q99720 2/20 0.54
CHRNA7 P36544 1/20 0.51
KDM1A O60341 1/20 0.50
MAOA P21397 1/20 0.50
MAOB P27338 1/20 0.50
MTNR1B P49286 1/20 0.49
GID4 Q8IVV7 1/20 0.49
MTNR1A P48039 1/20 0.48
CYP19A1 P11511 2/20 0.48
CYP11B1 P15538 1/20 0.48

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
SCHEMBL13306289 1.00 HTR2C (0.62) HTR2CHTR2AHTR2BSIGMAR1CHRNA7
SCHEMBL2970487 1.00 HTR2C (0.62) HTR2CHTR2AHTR2BSIGMAR1CHRNA7
SCHEMBL12593301 0.89 HTR2C (0.66) HTR2CHTR2AHTR2BSIGMAR1CHRNA7
SCHEMBL13306290 0.89 HTR2C (0.66) HTR2CHTR2AHTR2BSIGMAR1CHRNA7
SCHEMBL13306294 0.89 HTR2C (0.66) HTR2CHTR2AHTR2BSIGMAR1CHRNA7
SCHEMBL31650156 0.86 HTR2C (0.60) HTR2CSIGMAR1CHRNA7GID4CYP19A1
SCHEMBL8983524 0.86 HTR2C (0.60) HTR2CSIGMAR1CHRNA7GID4CYP19A1
SCHEMBL13273185 0.86 HTR2C (0.60) HTR2CSIGMAR1CHRNA7GID4CYP19A1
SCHEMBL6797543 0.81 MTNR1B (0.51) HTR2CHTR2AHTR2BSIGMAR1CHRNA7
SCHEMBL9775105 0.81 CHRNA7 (0.50) HTR2CHTR2AHTR2BSIGMAR1CHRNA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6750243-B1 COMPETITIVE INHIBITORS OF TRYPSIN-LIKE SERINE PROTEASES, ESPECIALLY THROMBIN; chemical synthesis; anticoagulants; treatment of thrombosis AstraZeneća AB (SE) 2004-06-15 US claimed
EP-2185525-B1 PYRAZOLE 3,5 CARBOXYLATE DERIVATIVES PREPARATION AND THERAPEUTIC APPLICATION THEREOF SANOFI SA (FR) 2016-12-14 EP disclosed
US-9102628-B2 Derivatives of pyrazole 3,5-carboxylates, their preparation and their application in therapeutics SANOFI (FR) 2015-08-11 US disclosed
US-9102628-B2 Derivatives of pyrazole 3,5-carboxylates, their preparation and their application in therapeutics SANOFI (FR) 2015-08-11 US disclosed
US-20100160377-A1 DERIVATIVES OF PYRAZOLE 3,5-CARBOXYLATES, THEIR PREPARATION AND THEIR APPLICATION IN THERAPEUTICS SANOFI-AVENTIS (FR) 2010-06-24 US disclosed
US-20100160377-A1 DERIVATIVES OF PYRAZOLE 3,5-CARBOXYLATES, THEIR PREPARATION AND THEIR APPLICATION IN THERAPEUTICS SANOFI-AVENTIS (FR) 2010-06-24 US disclosed
WO-2009027601-A2 PYRAZOLE 3,5 CARBOXYLATE DERIVATIVES PREPARATION AND THERAPEUTIC APPLICATION THEREOF SANOFI-AVENTIS (FR) 2009-03-05 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-20100160377-A1 DERIVATIVES OF PYRAZOLE 3,5-CARBOXYLATES, THEIR PREPARATION AND THEIR APPLICATION IN THERAPEUTICS CYP3A5, ADH5, AVPR2 HTR2C 1355/4885HTR2A 3029/4885HTR2B 2547/4885

“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.