SCHEMBL126154

SCHEMBL126154

Clc1nccnc1N1CCN(C(Cc2ccccc2)c2cn[nH]c2)CC1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 4/20 0.41
SLC6A2 P23975 2/20 0.41
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
TSHR P16473 1/20 0.40
CYP2C19 P33261 1/20 0.40
RPS6KB1 P23443 7/20 0.36
HRH3 Q9Y5N1 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
OPRM1 P35372 1/20 0.35
OPRD1 P41143 1/20 0.35
OPRK1 P41145 1/20 0.35
OPRL1 P41146 1/20 0.35
BCL2L1 Q07817 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 0.82 ALDH1A1 (0.46) SLC6A4SLC6A2CYP2D6TSHRCYP2C19
Hydrochloric Acid SCHEMBL3321885 0.82 RPS6KB1 (0.41) SLC6A4SLC6A2CYP1A2CYP3A4CYP2D6
SCHEMBL3321649 0.77 OGA (0.39)
SCHEMBL123222 0.77 MCOLN2 (0.40) RPS6KB1OPRM1OPRD1OPRK1OPRL1
Hydrochloric Acid SCHEMBL3322331 0.74 RPS6KB1 (0.37) RPS6KB1MEN1KMT2A
SCHEMBL124745 0.73 RPS6KB1 (0.43) RPS6KB1OPRM1OPRD1OPRK1OPRL1
Hydrochloric Acid SCHEMBL3323672 0.71 HTR1A (0.36) RPS6KB1
SCHEMBL128141 0.71 RPS6KB1 (0.39) CYP3A4RPS6KB1
Hydrochloric Acid SCHEMBL3322816 0.69 RPS6KB1 (0.37) CYP3A4TSHRCYP2C19RPS6KB1MEN1
Hydrochloric Acid SCHEMBL3323677 0.68 AURKA (0.40) CYP2D6

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 SLC6A4 92/4885SLC6A2 313/4885CYP1A2 553/4885

“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.