SCHEMBL13977960

SCHEMBL13977960

OCc1ccc2c(n1)CCC2

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 1/20 0.43
ADRA2A P08913 6/20 0.43
ADRA2B P18089 6/20 0.43
ADRA2C P18825 6/20 0.43
HTR2A P28223 2/20 0.38
HTR2C P28335 2/20 0.38
PRNP P04156 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
CHRM4 P08173 1/20 0.34
HTR2B P41595 1/20 0.34
NPC1 O15118 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
GRM4 Q14833 1/20 0.32
CYP2C19 P33261 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
SCHEMBL4206586 0.96 ADRA2A (0.47) CCR1ADRA2AADRA2BADRA2CHTR2A
SCHEMBL13977967 0.82 ADRA2A (0.41) ADRA2AADRA2BADRA2CHTR2AHTR2C
SCHEMBL14911823 0.81 ADRA2A (0.45) ADRA2AADRA2BADRA2CHTR2AHTR2C
SCHEMBL18183672 0.80 ADRA2A (0.40) ADRA2AADRA2BADRA2CHTR2AHTR2C
SCHEMBL15961568 0.80 ADRA2A (0.40) ADRA2AADRA2BADRA2CHTR2AHTR2C
Ammonia Solution, Strong SCHEMBL7996099 0.78 ADRA2A (0.39) ADRA2AADRA2BADRA2CHTR2AHTR2C
SCHEMBL23425843 0.78 ADRA2A (0.44) ADRA2AADRA2BADRA2CHTR2AHTR2C
SCHEMBL7002097 0.77 ADRA2A (0.41) ADRA2AADRA2BADRA2CHTR2AHTR2C
SCHEMBL5335231 0.76 CCR1 (0.43) CCR1ADRA2AADRA2BADRA2CHTR2A
SCHEMBL11519907 0.76 ADRA2A (0.43) ADRA2AADRA2BADRA2CHTR2AHTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110062757-B Factor XIa inhibitors and uses thereof 广东东阳光药业有限公司 2022-03-04 CN disclosed
WO-2018133793-A1 BLOOD COAGULATION FACTOR XIA INHIBITOR AND USES THEREOF 广东东阳光药业有限公司 2018-07-26 WO disclosed
WO-2016171181-A1 2-SUBSTITUTED FUSED PYRAZOLE DERIVATIVES 大日本住友製薬株式会社 2016-10-27 WO disclosed
US-20140235548-A1 COMPOSITIONS AND METHODS FOR JAMM PROTEIN INHIBITION CLEAVE BIOSCIENCES, INC. (US) 2014-08-21 US disclosed
US-20140235548-A1 COMPOSITIONS AND METHODS FOR JAMM PROTEIN INHIBITION CLEAVE BIOSCIENCES, INC. (US) 2014-08-21 US disclosed
WO-2012158435-A1 COMPOSITIONS AND METHODS FOR JAMM PROTEIN INHIBITION ZHOU HAN-JIE (US) 2012-11-22 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-20140235548-A1 COMPOSITIONS AND METHODS FOR JAMM PROTEIN INHIBITION USP24, USP36, USP39 CCR1 4513/4885ADRA2A 4302/4885ADRA2B 3739/4885

“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.