SCHEMBL15344915

SCHEMBL15344915

Cc1ccc2c(c1)ncn2C1CCN(C)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.50
SLC6A4 P31645 1/20 0.50
GAA P10253 3/20 0.45
HSD17B10 Q99714 2/20 0.45
FGFR1 P11362 1/20 0.44
OPRM1 P35372 1/20 0.44
OPRL1 P41146 1/20 0.44
ALDH1A1 P00352 6/20 0.43
KMT2A Q03164 3/20 0.43
HPGD P15428 3/20 0.43
MEN1 O00255 1/20 0.43
TP53 P04637 1/20 0.42
USP2 O75604 3/20 0.42
NPC1 O15118 3/20 0.41
LMNA P02545 2/20 0.40
MAPK10 P53779 2/20 0.40
POLB P06746 1/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TSHR P16473 1/20 0.39

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
SCHEMBL15344990 0.90 DRD2 (0.49) DRD2SLC6A4OPRM1OPRL1ALDH1A1
SCHEMBL17678349 0.89 GAA (0.50) DRD2SLC6A4GAAHSD17B10FGFR1
SCHEMBL18250716 0.86 GAA (0.55) DRD2SLC6A4GAAHSD17B10FGFR1
SCHEMBL18250724 0.86 GAA (0.58) GAAHSD17B10FGFR1ALDH1A1KMT2A
SCHEMBL18250725 0.84 GAA (0.61) GAAHSD17B10FGFR1OPRM1OPRL1
SCHEMBL3830762 0.84 DDB1 (0.49) DRD2SLC6A4GAAHSD17B10FGFR1
SCHEMBL15944159 0.82 DRD2 (0.45) DRD2SLC6A4FGFR1OPRM1OPRL1
SCHEMBL4741350 0.82 HCAR1 (0.48) DRD2SLC6A4GAAHSD17B10FGFR1
SCHEMBL3730443 0.81 DRD2 (0.72) DRD2SLC6A4OPRM1OPRL1ALDH1A1
SCHEMBL15341826 0.81 DRD2 (0.47) DRD2SLC6A4GAAHSD17B10OPRM1

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
US-20160015690-A1 THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. 2016-01-21 US disclosed
US-8987250-B2 Therapeutic compounds GILEAD SCIENCES, INC. (US) 2015-03-24 US disclosed
US-20130281433-A1 THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. 2013-10-24 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-20160015690-A1 THERAPEUTIC COMPOUNDS NQO1, HAVCR2, CCR5 DRD2 3848/4885SLC6A4 2785/4885GAA 42/4885
US-20130281433-A1 THERAPEUTIC COMPOUNDS NQO1, HAVCR2, CCR5 DRD2 3848/4885SLC6A4 2785/4885GAA 42/4885

“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.