SCHEMBL6232404

SCHEMBL6232404

c1ccc(CN2CCN(c3ccc4ccccc4c3)CC2)cc1

nearest known ligand 0.71

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.71
SIGMAR1 Q99720 4/20 0.69
DRD4 P21917 3/20 0.67
DRD2 P14416 2/20 0.61
DRD3 P35462 1/20 0.61
HTR3A P46098 2/20 0.58
NPC1 O15118 1/20 0.56
HTR3E A5X5Y0 1/20 0.54
HTR3B O95264 1/20 0.54
HTR5A P47898 1/20 0.54
HTR3D Q70Z44 1/20 0.54
HTR3C Q8WXA8 1/20 0.54
PKM P14618 1/20 0.51
CASP1 P29466 1/20 0.51
CASP5 P51878 1/20 0.51
HTR2A P28223 1/20 0.51
HTR2C P28335 1/20 0.51
HTR2B P41595 1/20 0.51

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
SCHEMBL6230339 0.89 DRD4 (0.68) KMT2ASIGMAR1DRD4DRD2DRD3
SCHEMBL27528198 0.88 KMT2A (0.59) KMT2ASIGMAR1DRD4DRD2DRD3
SCHEMBL6229512 0.88 MAPT (0.62) KMT2ASIGMAR1DRD4DRD2DRD3
Hydrochloric Acid SCHEMBL6232393 0.88 DRD4 (0.66) KMT2ASIGMAR1DRD4DRD2DRD3
SCHEMBL6231809 0.88 LMNA (0.59) KMT2ASIGMAR1DRD4DRD2HTR3A
Bromide SCHEMBL6233117 0.87 LMNA (0.58) KMT2ASIGMAR1DRD4DRD2HTR3A
Bromide SCHEMBL27477876 0.87 KMT2A (0.57) KMT2ASIGMAR1DRD4DRD2DRD3
Bromide SCHEMBL6232178 0.87 MAPT (0.61) KMT2ASIGMAR1DRD4DRD2DRD3
Hydrochloric Acid SCHEMBL6270316 0.87 LMNA (0.58) KMT2ASIGMAR1DRD4DRD2HTR3A
SCHEMBL6233613 0.86 KMT2A (0.58) KMT2ASIGMAR1DRD4DRD2DRD3

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 KMT2A 1210/4885SIGMAR1 5/4885DRD4 2/4885

“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.