SCHEMBL6231838

SCHEMBL6231838

Cc1ccc2c(C)cc(N3CCN(Cc4ccc(Cl)cc4)CC3)nc2c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.56
HSD17B10 Q99714 3/20 0.56
PKM P14618 1/20 0.56
ALDH1A1 P00352 7/20 0.55
MAPT P10636 6/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
TDP1 Q9NUW8 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
KMT2A Q03164 4/20 0.47
MEN1 O00255 3/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
KCNH2 Q12809 1/20 0.46
HPGD P15428 3/20 0.45
CYP1A2 P05177 2/20 0.45
EGFR P00533 1/20 0.45
GAA P10253 3/20 0.44
ALOX15 P16050 1/20 0.44
TSHR P16473 1/20 0.44
CASP1 P29466 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 SCHEMBL6228328 0.99 KDM4E (0.55) KDM4EHSD17B10PKMALDH1A1MAPT
SCHEMBL6229960 0.91 MEN1 (0.56) KDM4EHSD17B10PKMALDH1A1MAPT
Bromide SCHEMBL6234952 0.89 MEN1 (0.55) KDM4EHSD17B10PKMALDH1A1MAPT
SCHEMBL6230177 0.87 KMT2A (0.62) KDM4EHSD17B10PKMALDH1A1MAPT
Bromide SCHEMBL6238710 0.86 KMT2A (0.61) KDM4EHSD17B10PKMALDH1A1MAPT
SCHEMBL6229712 0.80 ALDH1A1 (0.61) KDM4EHSD17B10ALDH1A1MAPTSMN1; SMN2
Hydrochloric Acid SCHEMBL6231608 0.79 ALDH1A1 (0.60) KDM4EHSD17B10ALDH1A1MAPTSMN1; SMN2
SCHEMBL6229913 0.79 KDM4E (0.62) KDM4EHSD17B10PKMALDH1A1MAPT
Bromide SCHEMBL6236291 0.78 KDM4E (0.61) KDM4EALDH1A1MAPTSMN1; SMN2TDP1
SCHEMBL5532732 0.76 KDM4E (0.90) KDM4EHSD17B10PKMALDH1A1MAPT

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-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
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 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 KDM4E 2543/4885HSD17B10 3159/4885PKM 3594/4885

“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.