SCHEMBL19684575

SCHEMBL19684575

Cc1cc(C)c2c(c1)CCNC2

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PNMT P11086 9/20 0.47
HTR2A P28223 2/20 0.41
HTR2C P28335 2/20 0.41
ADRA2A P08913 2/20 0.39
ADRA2B P18089 2/20 0.39
ADRA2C P18825 2/20 0.39
CD44 P16070 1/20 0.38
MAOB P27338 1/20 0.38

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
SCHEMBL20439975 0.84 HTR2C (0.44) PNMTHTR2AHTR2CADRA2AADRA2B
SCHEMBL23735310 0.82 PNMT (0.46) PNMTADRA2AADRA2BADRA2CCD44
SCHEMBL19406882 0.82 PNMT (0.46) PNMTHTR2AHTR2CADRA2AADRA2B
SCHEMBL21509795 0.81 HTR2A (0.37) PNMTHTR2AHTR2C
SCHEMBL15503204 0.81 PNMT (0.49) PNMTADRA2AADRA2BADRA2C
SCHEMBL20909785 0.81 PNMT (0.58) PNMTHTR2AHTR2CADRA2AADRA2B
SCHEMBL19684582 0.81 PNMT (0.44) PNMTHTR2AHTR2CADRA2AADRA2B
SCHEMBL19684576 0.81 PNMT (0.53) PNMTHTR2AHTR2CADRA2AADRA2B
SCHEMBL15503117 0.81 PNMT (0.44) PNMTHTR2AHTR2CADRA2AADRA2B
SCHEMBL19684577 0.81 PNMT (0.50) PNMTHTR2AHTR2CADRA2AADRA2B

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
EP-4219504-A1 MACROCYCLIC TLR7 AGONIST, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION AND USE THEREOF Shanghai Visonpharma Co., Ltd. (CN) 2023-08-02 EP 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 (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-20170348313-A1 SUBSTITUTED CARBONUCLEOSIDE DERIVATIVES USEFUL AS ANTICANCER AGENTS DUT, NCL, TYMP PNMT 2003/4885HTR2A 4697/4885HTR2C 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.