SCHEMBL18019012

SCHEMBL18019012

CCC1CC1c1ccc(Cl)cc1

nearest known ligand 0.63

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 5/20 0.63
HTR2B P41595 4/20 0.63
HTR2A P28223 3/20 0.63
SLC6A3 Q01959 3/20 0.49
DRD2 P14416 2/20 0.43
DRD4 P21917 2/20 0.43
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41
MDM2 Q00987 1/20 0.41
CNR1 P21554 1/20 0.41

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
SCHEMBL18018994 1.00 HTR2C (0.63) HTR2CHTR2BHTR2ASLC6A3DRD2
SCHEMBL23993579 1.00 HTR2C (0.63) HTR2CHTR2BHTR2ASLC6A3DRD2
SCHEMBL20080189 0.81 HTR2C (0.66) HTR2CHTR2BHTR2ASLC6A3DRD2
SCHEMBL17004069 0.81 HTR2C (0.66) HTR2CHTR2BHTR2ASLC6A3SLC6A2
SCHEMBL16591246 0.79 HTR2C (0.66) HTR2CHTR2BHTR2ASLC6A3DRD2
SCHEMBL22334928 0.79 HTR2C (0.66) HTR2CHTR2BHTR2ASLC6A3SLC6A2
SCHEMBL16590511 0.79 HTR2C (0.66) HTR2CHTR2BHTR2ASLC6A3DRD2
SCHEMBL21503512 0.79 HTR2C (0.66) HTR2CHTR2BHTR2ASLC6A3DRD2
SCHEMBL6582897 0.79 HTR2C (0.63) HTR2CHTR2BHTR2ASLC6A3DRD2
SCHEMBL16477343 0.79 HTR2C (0.66) HTR2CHTR2BHTR2ASLC6A3DRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022052886-A1 CD73 INHIBITOR AND APPLICATION THEREOF IN MEDICINE 贝达药业股份有限公司 2022-03-17 WO disclosed
EP-2928457-B1 CYCLOPROPYLAMINE DERIVATIVES USEFUL AS INHIBITORS OF HISTONE DEMETHYLASES KDM1A ST EUROPEO DI ONCOLOGIA S R L (IT) 2020-08-12 EP disclosed
US-9738642-B2 Triazolopyridine ether derivatives and their use in neurological and pyschiatric disorders BRISTOL-MYERS SQUIBB COMPANY (US) 2017-08-22 US disclosed
US-20160237081-A1 TRIAZOLOPYRIDINE ETHER DERIVATIVES AND THEIR USE IN NEUROLOGICAL AND PYSCHIATRIC DISORDERS BRISTOL MYERS SQUIBB CO (US) 2016-08-18 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 (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-20160237081-A1 TRIAZOLOPYRIDINE ETHER DERIVATIVES AND THEIR USE IN NEUROLOGICAL AND PYSCHIATRIC DISORDERS GRM2, GRIK2, GRIA2 HTR2C 34/4885HTR2B 145/4885HTR2A 66/4885

“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.