SCHEMBL19684568

SCHEMBL19684568

CC(C)(C)c1cccc2c1CNCCCC2

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PNMT P11086 5/20 0.44
PRCP P42785 1/20 0.41
HTR2C P28335 2/20 0.39
HTR2B P41595 1/20 0.39
BCL2L1 Q07817 1/20 0.37
BAD Q92934 1/20 0.37
CD44 P16070 1/20 0.37

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
SCHEMBL19678831 0.95 PNMT (0.46) PNMTPRCPHTR2CHTR2BCD44
SCHEMBL12903032 0.88 PNMT (0.56) PNMTPRCPHTR2CCD44
SCHEMBL24604599 0.81 BCL2L1 (0.50) BCL2L1BAD
SCHEMBL16559767 0.79 CA2 (0.40) PNMTPRCPCD44
SCHEMBL11337766 0.79 PNMT (0.46) PNMTPRCPHTR2CHTR2BCD44
SCHEMBL12903030 0.78 CD44 (0.56) PNMTPRCPHTR2CCD44
SCHEMBL19684557 0.78 PNMT (0.47) PNMTPRCPHTR2CHTR2BBCL2L1
SCHEMBL11771379 0.77 BCL2L1 (0.45) BCL2L1BAD
SCHEMBL11947412 0.76 HTR2C (0.48) PNMTPRCPHTR2CHTR2BCD44
SCHEMBL19711056 0.75 PNMT (0.47) PNMTPRCPHTR2CHTR2BBCL2L1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10220037-B2 Substituted carbonucleoside derivatives useful as anticancer agents PFIZER INC. (US) 2019-03-05 US disclosed
US-20170348313-A1 SUBSTITUTED CARBONUCLEOSIDE DERIVATIVES USEFUL AS ANTICANCER AGENTS PFIZER INC. (US) 2017-12-07 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 (2 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-20170348313-A1 SUBSTITUTED CARBONUCLEOSIDE DERIVATIVES USEFUL AS ANTICANCER AGENTS DUT, NCL, TYMP PNMT 2003/4885PRCP 664/4885HTR2C 4759/4885
US-10220037-B2 Substituted carbonucleoside derivatives useful as anticancer agents DUT, NCL, TYMP PNMT 2003/4885PRCP 664/4885HTR2C 4759/4885

“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.