SCHEMBL6230177

SCHEMBL6230177

Cc1cc(N2CCN(Cc3ccc(Cl)cc3)CC2)nc2ccccc12

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.62
KDM4E B2RXH2 8/20 0.61
GAA P10253 4/20 0.61
L3MBTL1 Q9Y468 2/20 0.60
ACHE P22303 1/20 0.60
ALDH1A1 P00352 4/20 0.57
HPGD P15428 3/20 0.57
NCF1 P14598 2/20 0.57
ADRB1 P08588 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
POLB P06746 1/20 0.54
ALOX12 P18054 1/20 0.54
MAPT P10636 4/20 0.54
EGFR P00533 2/20 0.54
NPC1 O15118 2/20 0.53
RAB9A P51151 2/20 0.53
SIGMAR1 Q99720 1/20 0.52
LMNA P02545 1/20 0.51
MEN1 O00255 1/20 0.51
PKM P14618 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
Bromide SCHEMBL6238710 0.99 KMT2A (0.61) KMT2AKDM4EGAAL3MBTL1ACHE
SCHEMBL6231838 0.87 KDM4E (0.56) KMT2AKDM4EGAAL3MBTL1ALDH1A1
SCHEMBL6229960 0.87 MEN1 (0.56) KMT2AKDM4EGAAALDH1A1HPGD
Bromide SCHEMBL6228328 0.86 KDM4E (0.55) KMT2AKDM4EGAAL3MBTL1ALDH1A1
Bromide SCHEMBL6234952 0.86 MEN1 (0.55) KMT2AKDM4EGAAALDH1A1HPGD
SCHEMBL6229913 0.84 KDM4E (0.62) KMT2AKDM4EGAAL3MBTL1ALDH1A1
SCHEMBL6373354 0.84 KDM4E (0.47) KMT2AKDM4EGAAL3MBTL1ACHE
Bromide SCHEMBL6236291 0.83 KDM4E (0.61) KMT2AKDM4EGAAL3MBTL1ALDH1A1
SCHEMBL6229712 0.83 ALDH1A1 (0.61) KMT2AKDM4EGAAL3MBTL1ALDH1A1
Hydrochloric Acid SCHEMBL6231608 0.82 ALDH1A1 (0.60) KMT2AKDM4EGAAL3MBTL1ALDH1A1

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 3 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
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
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 KMT2A 1210/4885KDM4E 2543/4885GAA 2124/4885

“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.