SCHEMBL124745

SCHEMBL124745

Fc1cccc(C(c2cn[nH]c2)N2CCN(c3nccnc3Cl)CC2)c1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RPS6KB1 P23443 10/20 0.43
OPRM1 P35372 1/20 0.36
OPRD1 P41143 1/20 0.36
OPRK1 P41145 1/20 0.36
OPRL1 P41146 1/20 0.36
POLB P06746 2/20 0.35
ALDH1A1 P00352 1/20 0.35
KDM4E B2RXH2 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
EGFR P00533 1/20 0.34
MALT1 Q9UDY8 1/20 0.34
KIT P10721 1/20 0.34
MAPT P10636 1/20 0.34

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
SCHEMBL3323014 0.87 ALDH1A1 (0.46) OPRM1POLBALDH1A1KDM4ENPSR1
SCHEMBL128141 0.86 RPS6KB1 (0.39) RPS6KB1MALT1MAPT
SCHEMBL123222 0.83 MCOLN2 (0.40) RPS6KB1OPRM1OPRD1OPRK1OPRL1
Hydrochloric Acid SCHEMBL123986 0.82 RPS6KB1 (0.41) RPS6KB1OPRM1OPRD1
Hydrochloric Acid SCHEMBL3325655 0.76 RPS6KB1 (0.43) RPS6KB1OPRM1OPRD1OPRK1OPRL1
SCHEMBL3321649 0.76 OGA (0.39)
SCHEMBL3323482 0.74 ACHE (0.39) RPS6KB1OPRK1POLBMAPT
SCHEMBL3324121 0.73 RPS6KB1 (0.42) RPS6KB1KIT
SCHEMBL126154 0.73 SLC6A4 (0.41) RPS6KB1OPRM1OPRD1OPRK1OPRL1
Hydrochloric Acid SCHEMBL3322453 0.71 RPS6KB1 (0.45) RPS6KB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2201002-B1 5-HT7 RECEPTOR ANTAGONISTS LILLY CO ELI (US) 2012-03-07 EP disclosed
US-7910588-B2 5-HT7 receptor antagonists ELI LILLY AND COMPANY (US) 2011-03-22 US disclosed
US-20100197700-A1 5-HT7 RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY 2010-08-05 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-20100197700-A1 5-HT7 RECEPTOR ANTAGONISTS HTR7, HTR1A, HTR2C RPS6KB1 1468/4885OPRM1 30/4885OPRD1 50/4885

“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.