SCHEMBL7035228

SCHEMBL7035228

Clc1cccc(SC2CCN(CCc3ccc(Cl)s3)CC2)n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.48
CYP1A2 P05177 2/20 0.48
KMT2A Q03164 2/20 0.48
PRCP P42785 2/20 0.33
CARM1 Q86X55 1/20 0.33
PRMT6 Q96LA8 1/20 0.33
HTR3E A5X5Y0 2/20 0.33
HTR3B O95264 2/20 0.33
HTR3A P46098 2/20 0.33
HTR3D Q70Z44 2/20 0.33
HTR3C Q8WXA8 2/20 0.33
CYP2D6 P10635 1/20 0.33
ALOX15 P16050 1/20 0.33
TSHR P16473 1/20 0.33
NFKB1 P19838 1/20 0.33
MMP8 P22894 1/20 0.31
MMP12 P39900 1/20 0.31
MMP13 P45452 1/20 0.31
HRH2 P25021 1/20 0.31
F10 P00742 1/20 0.30

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
SCHEMBL7025728 0.78 MEN1 (0.49) MEN1CYP1A2KMT2A
SCHEMBL7026100 0.77 MEN1 (0.48) MEN1CYP1A2KMT2ACARM1PRMT6
SCHEMBL7021838 0.77 MEN1 (0.48) MEN1CYP1A2KMT2ACARM1PRMT6
SCHEMBL7031546 0.75 MEN1 (0.45) MEN1CYP1A2KMT2ACARM1PRMT6
SCHEMBL7029825 0.73 MAOA (0.46) MEN1CARM1PRMT6HRH2
SCHEMBL16334124 0.70 MEN1 (0.73) MEN1CYP1A2KMT2AHTR3EHTR3B
SCHEMBL16333873 0.70 MEN1 (0.73) MEN1CYP1A2KMT2AHTR3EHTR3B
Anpirtoline SCHEMBL398427 0.66 MEN1 (1.00) MEN1CYP1A2KMT2AHTR3EHTR3B
SCHEMBL6605812 0.65 HRH1 (0.51)
Anpirtoline SCHEMBL3115824 0.65 MEN1 (0.97) MEN1CYP1A2KMT2AHTR3EHTR3B

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
US-20030130287-A1 Piperidine and piperazine derivatives which function as 5-ht2a receptor antagonists MERCK PATENT GMBH (DE) 2003-07-10 US disclosed
EP-1246803-A1 PIPERIDINE AND PIPERAZINE DERIVATIVES WHICH FUNCTION AS 5-HT 2A? RECEPTOR ANTAGONISTS MERCK PATENT GmbH (DE) 2002-10-09 EP disclosed
WO-2001051469-A1 PIPERIDINE AND PIPERAZINE DERIVATIVES WHICH FUNCTION AS 5-HT2A RECEPTOR ANTAGONISTS MERCK PATENT GMBH (DE) 2001-07-19 WO 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-20030130287-A1 Piperidine and piperazine derivatives which function as 5-ht2a receptor antagonists HTR2A, HTR1A, HTR5A MEN1 3253/4885CYP1A2 591/4885KMT2A 472/4885

“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.