SCHEMBL7521159

SCHEMBL7521159

NCCCCN1CCN(c2ncc(F)cn2)CC1

nearest known ligand 0.66

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 10/20 0.66
HTR1A P08908 3/20 0.60
KDM4E B2RXH2 1/20 0.58
CYP1A2 P05177 1/20 0.58
GAA P10253 1/20 0.58
CYP2C9 P11712 1/20 0.58
DRD2 P14416 1/20 0.58

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
SCHEMBL7210648 0.89 SIGMAR1 (0.58) SIGMAR1HTR1AKDM4ECYP1A2GAA
SCHEMBL15383624 0.84 SIGMAR1 (0.48) SIGMAR1HTR1A
SCHEMBL30350966 0.84 SIGMAR1 (0.66) SIGMAR1HTR1AKDM4ECYP1A2GAA
SCHEMBL25223898 0.84 SIGMAR1 (0.48) SIGMAR1HTR1AKDM4ECYP1A2GAA
SCHEMBL7855443 0.83 SIGMAR1 (0.63) SIGMAR1HTR1AKDM4ECYP1A2GAA
SCHEMBL4447104 0.82 DRD2 (0.58) HTR1ADRD2
SCHEMBL9766008 0.80 SIGMAR1 (0.60) SIGMAR1HTR1AKDM4ECYP1A2GAA
SCHEMBL9400960 0.80 CYP2D6 (0.54) SIGMAR1HTR1ADRD2
SCHEMBL13532670 0.80 SIGMAR1 (0.60) SIGMAR1HTR1AKDM4ECYP1A2GAA
SCHEMBL9765984 0.80 SIGMAR1 (1.00) SIGMAR1HTR1AKDM4ECYP1A2GAA

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 6 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
US-6284759-B1 PSYCHOLOGICAL DISORDERS; NERVOUS SYSTEM DISORDERS NEUROGEN CORPORATION 2001-09-04 US disclosed
EP-1117663-A2 2-PIPERAZINO ALKYLAMINO BENZOAZOLE DERIVATIVES: DOPAMINE RECEPTOR SUBTYPE SPECIFIC LIGANDS NEUROGEN CORPORATION (US) 2001-07-25 EP disclosed
WO-2000018767-A9 2-PIPERAZINO ALKYLAMINO BENZOAZOLE DERIVATIVES: DOPAMINE RECEPTOR SUBTYPE SPECIFIC LIGANDS NEUROGEN CORP (US) 2001-04-19 WO disclosed
WO-2000018767-A2 2-PIPERAZINO ALKYLAMINO BENZOAZOLE DERIVATIVES: DOPAMINE RECEPTOR SUBTYPE SPECIFIC LIGANDS NEUROGEN CORPORATION (US) 2000-04-06 WO 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 SIGMAR1 5/4885HTR1A 16/4885KDM4E 4376/4885

“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.