SCHEMBL7518692

SCHEMBL7518692

c1ccc2cc(N3CCN(CCNc4nc5ccccc5s4)CC3)ccc2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC27A1 Q6PCB7 1/20 0.48
SIGMAR1 Q99720 1/20 0.48
HTR1A P08908 7/20 0.47
DRD3 P35462 5/20 0.47
HTR2A P28223 5/20 0.47
SLC6A4 P31645 5/20 0.47
DRD2 P14416 5/20 0.47
HTR7 P34969 4/20 0.47
HTR2C P28335 3/20 0.47
DRD1 P21728 2/20 0.47
RAB9A P51151 2/20 0.46
NPC1 O15118 1/20 0.46
TP53 P04637 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
TSHR P16473 1/20 0.46
MAPK1 P28482 1/20 0.46
THPO P40225 1/20 0.46
MTOR P42345 1/20 0.46

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
SCHEMBL5185914 0.87 HTR1A (0.56) SLC27A1HTR1ADRD3HTR2ASLC6A4
SCHEMBL5185901 0.87 DRD2 (0.50) SLC27A1HTR1ADRD3HTR2ASLC6A4
SCHEMBL5185915 0.85 SLC6A4 (0.64) SLC27A1HTR1ADRD3HTR2ASLC6A4
SCHEMBL7523236 0.85 SLC27A1 (0.66) SLC27A1HTR1ADRD3HTR2ASLC6A4
SCHEMBL5185993 0.85 SLC27A1 (0.52) SLC27A1HTR1ADRD3HTR2ASLC6A4
Hydrochloric Acid SCHEMBL7522315 0.84 SLC6A4 (0.63) SLC27A1HTR1ADRD3HTR2ASLC6A4
Hydrochloric Acid SCHEMBL7523122 0.84 SLC27A1 (0.64) SLC27A1HTR1ADRD3HTR2ASLC6A4
SCHEMBL5185969 0.81 DRD2 (0.59) SLC27A1HTR1ADRD3HTR2ASLC6A4
SCHEMBL7519839 0.81 DRD2 (0.63) SIGMAR1HTR1ADRD3HTR2ADRD2
Fumaric Acid SCHEMBL7529648 0.80 DRD2 (0.56) SLC27A1HTR1ADRD3HTR2ASLC6A4

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
US-6432958-B1 FOR THERAPY AND PROPHYLAXIS OF NEUROPSYCHOLOGICAL DISORDERS SUCH AS SCHIZOPHRENIA, MANIA, DEMENTIA, DEPRESSION, ANXIETY, COMPULSIVE BEHAVIOR, SUBSTANCE ABUSE, MOTOR DISORDERS AND MOTION DISORDERS RELATED TO USE OF NEUROLEPTIC AGENT NEUROGEN CORPORATION 2002-08-13 US disclosed
US-20020058666-A1 2-piperazinoalkylaminobenzoazole derivatives: dopamine receptor subtype specific ligands NEUROGEN CORPORATION 2002-05-16 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-20020058666-A1 2-piperazinoalkylaminobenzoazole derivatives: dopamine receptor subtype specific ligands CHRNA7, HTR7, OPRD1 SLC27A1 1305/4885SIGMAR1 5/4885HTR1A 16/4885

“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.