SCHEMBL19684822

SCHEMBL19684822

Cc1cccc2c1[C@H](C)NCC2

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 1/20 0.42
DRD2 P14416 3/20 0.42
PARP1 P09874 1/20 0.41
PRCP P42785 3/20 0.40
MAOA P21397 3/20 0.40
DRD3 P35462 2/20 0.40
TSHR P16473 2/20 0.40
KDM4E B2RXH2 1/20 0.40
CYP2C9 P11712 1/20 0.40
HIF1A Q16665 1/20 0.40
HSD17B10 Q99714 1/20 0.40
DRD4 P21917 1/20 0.40

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
SCHEMBL19684816 1.00 HTR2C (0.42) HTR2CDRD2PARP1PRCPMAOA
SCHEMBL7818489 1.00 HTR2C (0.42) HTR2CDRD2PARP1PRCPMAOA
SCHEMBL19711049 0.80 HTR2C (0.41) HTR2CDRD2PARP1PRCPMAOA
SCHEMBL1010276 0.80 HTR2C (0.41) HTR2CDRD2PARP1PRCPMAOA
SCHEMBL30983663 0.80 HTR2C (0.41) HTR2CDRD2PARP1PRCPMAOA
SCHEMBL19711053 0.80 HTR2C (0.41) HTR2CDRD2PARP1PRCPMAOA
SCHEMBL19678842 0.77 PARP1 (0.41) HTR2CDRD2PARP1PRCPMAOA
SCHEMBL19678841 0.77 PARP1 (0.41) HTR2CDRD2PARP1PRCPMAOA
SCHEMBL12311985 0.77 MAOA (0.53) HTR2CDRD2MAOATSHRHSD17B10
SCHEMBL21651084 0.77 PRCP (0.57) DRD2PRCP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 HTR2C 4759/4885DRD2 3868/4885PARP1 37/4885

“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.