SCHEMBL6031040

SCHEMBL6031040

Cc1cccc(N2CCN(C(Cl)c3ccccc3)CC2)c1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.52
KCNH2 Q12809 2/20 0.52
RAB9A P51151 2/20 0.52
ALDH1A1 P00352 2/20 0.52
ADRB1 P08588 1/20 0.50
HTR7 P34969 1/20 0.47
NPSR1 Q6W5P4 2/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
NPC1 O15118 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
MAPK1 P28482 2/20 0.44
NLRP3 Q96P20 1/20 0.44
DPP4 P27487 1/20 0.44
MCOLN2 Q8IZK6 1/20 0.43
LMNA P02545 1/20 0.42
TSHR P16473 1/20 0.42
RECQL P46063 1/20 0.42

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
SCHEMBL6031006 0.83 MAPT (0.48) MAPTRAB9AALDH1A1ADRB1HTR7
Bromide SCHEMBL6030911 0.82 MEN1 (0.55) MAPTALDH1A1ADRB1HTR7NPSR1
SCHEMBL6806256 0.82 ADRB1 (0.47) MAPTALDH1A1ADRB1HTR7NPSR1
SCHEMBL11096302 0.81 KCNH2 (0.73) MAPTKCNH2RAB9AALDH1A1ADRB1
SCHEMBL12022552 0.79 MAPT (0.52) MAPTKCNH2RAB9AALDH1A1ADRB1
SCHEMBL10373770 0.79 ADRB1 (0.74) MAPTKCNH2RAB9AALDH1A1ADRB1
SCHEMBL11103700 0.79 ADRB1 (0.74) MAPTKCNH2RAB9AALDH1A1ADRB1
SCHEMBL12377879 0.78 ADRB1 (0.59) MAPTKCNH2RAB9AALDH1A1ADRB1
SCHEMBL6032145 0.78 MAPT (0.51) MAPTALDH1A1ADRB1HTR7MEN1
SCHEMBL27451337 0.77 MAPT (0.50) MAPTKCNH2RAB9AALDH1A1ADRB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7101887-B2 1-phenyl-4-benzylpiperazines dopamine receptor subtype specific ligands NEUROGEN CORPORATION (US) 2006-09-05 US disclosed
US-20050239799-A1 1-phenyl-4-benzylpiperazines dopamine receptor subtype NEUROGEN CORPORATION (US) 2005-10-27 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-20050239799-A1 1-phenyl-4-benzylpiperazines dopamine receptor subtype DRD2, DRD4, HTR2C MAPT 1859/4885KCNH2 370/4885RAB9A 2125/4885

“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.