SCHEMBL6233366

SCHEMBL6233366

Clc1ccc(N2CCN(Cc3ccc4c(n3)CCCC4)CC2)cc1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.50
DRD4 P21917 9/20 0.49
DRD3 P35462 5/20 0.49
DRD2 P14416 4/20 0.49
HTR1A P08908 2/20 0.49
ADRA1D P25100 2/20 0.49
ADRA1A P35348 2/20 0.49
ADRA1B P35368 2/20 0.49
DRD1 P21728 1/20 0.46
KDM4E B2RXH2 2/20 0.46
GAA P10253 2/20 0.46
ALDH1A1 P00352 1/20 0.46
LMNA P02545 2/20 0.44
KMT2A Q03164 1/20 0.44
DRD5 P21918 1/20 0.44
POLB P06746 1/20 0.44
MAPK1 P28482 1/20 0.44
GRM2 Q14416 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44

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
Bromide SCHEMBL27477465 0.99 MAPT (0.49) MAPTDRD4DRD3DRD2HTR1A
SCHEMBL6229169 0.80 DRD4 (0.50) MAPTDRD4DRD3DRD2KDM4E
SCHEMBL6229421 0.79 HTR2A (0.56) MAPTDRD4DRD3DRD2KDM4E
Bromide SCHEMBL6232494 0.78 HTR2A (0.55) MAPTDRD4DRD2KDM4EALDH1A1
SCHEMBL6030916 0.74 MAPT (0.83) MAPTDRD4DRD3DRD2KDM4E
Hydrochloric Acid SCHEMBL6030550 0.72 MAPT (0.81) MAPTDRD4DRD3DRD2KDM4E
SCHEMBL7592944 0.72 HSP90AB1 (0.66) MAPTKDM4EALDH1A1LMNAKMT2A
SCHEMBL11621783 0.68 DRD4 (0.53) MAPTDRD4DRD3DRD2HTR1A
SCHEMBL8184269 0.68 DRD4 (0.75) MAPTDRD4DRD3DRD2HTR1A
SCHEMBL9790156 0.67 ADRA2A (0.43) MAPTALDH1A1MAPK1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1025097-B1 1-(2-NAPHTHYL) AND 1-(2-AZANAPHTHYL)-4-(1-PHENYLMETHYL)PIPERAZINES BEING DOPAMINE D 4? RECEPTOR SUBTYPE LIGANDS NEUROGEN CORP (US) 2005-04-27 EP disclosed
US-6384224-B2 FOR THERAPY AND PROPHYLAXIS OF PSYCHOTIC DISORDERS SUCH AS SCHIZOPHRENIA AND OTHER CENTRAL NERVOUS SYSTEM DISEASE NEUROGEN CORPORATION 2002-05-07 US disclosed
US-20020013317-A1 Certain 1- (2-naphthyl) and 1- (2- azanaphthyl) -4- (1-phenylmethyl) piperazines; dopamine receptor subtype specific ligands NEUROGEN CORPORATION 2002-01-31 US disclosed
US-6331629-B1 TREATMENT OF NEURO-PSYCHOLOGICAL DISORDERS NEUROGEN CORPORATION 2001-12-18 US disclosed
US-6040448-A USEFUL FOR TREATMENT OR PREVENTION OF PSYCHOTIC DISORDERS SUCH AS SCHIZOPHRENIA AND OTHER CENTRAL NERVOUS SYSTEM DISEASES. NEUROGEN CORPORATION (US) 2000-03-21 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-20020013317-A1 Certain 1- (2-naphthyl) and 1- (2- azanaphthyl) -4- (1-phenylmethyl) piperazines; dopamine receptor subtype specific ligands DRD2, DRD4, DRD3 MAPT 2340/4885DRD4 2/4885DRD3 3/4885

“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.