SCHEMBL6231748

SCHEMBL6231748

Cc1nc2ccccc2nc1N1CCN(Cc2ccc(Cl)cc2)CC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 2/20 0.58
CYP1A2 P05177 1/20 0.57
KDM4E B2RXH2 3/20 0.57
MAPT P10636 3/20 0.57
NPSR1 Q6W5P4 2/20 0.57
RECQL P46063 1/20 0.57
LMNA P02545 3/20 0.56
ALDH1A1 P00352 1/20 0.56
HPGD P15428 1/20 0.56
SIGMAR1 Q99720 1/20 0.54
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
GAA P10253 2/20 0.53
MAPK1 P28482 2/20 0.53
TSHR P16473 1/20 0.52
DRD4 P21917 2/20 0.51
HTR3E A5X5Y0 5/20 0.50
HTR3B O95264 5/20 0.50
HTR3A P46098 5/20 0.50
HTR3D Q70Z44 5/20 0.50

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 SCHEMBL6236006 0.99 HRH4 (0.57) HRH4CYP1A2KDM4EMAPTNPSR1
SCHEMBL4484394 0.90 LMNA (0.68) HRH4CYP1A2KDM4EMAPTLMNA
SCHEMBL15567104 0.78 GPR6 (0.75) MEN1KMT2A
SCHEMBL27554696 0.76 KDM4E (0.64) KDM4EMAPTNPSR1RECQLLMNA
SCHEMBL6229313 0.76 NPC1 (0.82) HRH4KDM4EMAPTNPSR1LMNA
SCHEMBL30223018 0.75 HRH4 (1.00) HRH4CYP1A2MEN1KMT2ATSHR
SCHEMBL7244839 0.75 HRH4 (1.00) HRH4CYP1A2MEN1KMT2ATSHR
SCHEMBL6230177 0.74 KMT2A (0.62) KDM4EMAPTNPSR1RECQLLMNA
SCHEMBL7234909 0.74 CYP1A2 (1.00) HRH4CYP1A2KDM4EMAPTNPSR1
SCHEMBL6229963 0.74 HRH3 (0.63) HRH4CYP1A2KDM4EMAPTNPSR1

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 claimed
CN-1191248-C 1-(2-naphthyl) and 1(2-azanaphthyl)-4-(1-phenylmethyl)piperazines being dopamine D4 receptor subtype ligands NEUROGEN CORP (US) 2005-03-02 CN claimed
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 claimed
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 claimed
CN-1283195-A 1-(2-naphthyl) and 1(2-azanaphthyl)-4-(1-phenylmethyl)piperazines being dopamine D4 receptor subtype ligands NEUROGEN CORP (US) 2001-02-07 CN claimed

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 HRH4 131/4885CYP1A2 577/4885KDM4E 2543/4885

“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.