SCHEMBL6929612

SCHEMBL6929612

COC[C@@H](c1ccc(C(c2ccc(Cl)cc2)N2CC(=C(c3cc(F)cc(F)c3)S(C)(=O)=O)C2)cc1)N1CCCC1

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TP53 P04637 7/20 0.40
LMNA P02545 4/20 0.38
POLB P06746 2/20 0.38
MAPT P10636 1/20 0.38
THRB P10828 2/20 0.37
SCN9A Q15858 2/20 0.34
FPR2 P25090 1/20 0.34
PROKR1 Q8TCW9 1/20 0.34
MC4R P32245 1/20 0.33

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
SCHEMBL6011842 1.00 TP53 (0.40) TP53LMNAPOLBMAPTTHRB
SCHEMBL6011838 1.00 TP53 (0.40) TP53LMNAPOLBMAPTTHRB
SCHEMBL6011932 0.90 TP53 (0.42) TP53LMNAPOLBTHRBMC4R
SCHEMBL6011595 0.90 TP53 (0.42) TP53LMNAPOLBTHRBMC4R
SCHEMBL6794152 0.90 TP53 (0.42) TP53LMNAPOLBTHRBMC4R
SCHEMBL6011592 0.90 TP53 (0.42) TP53LMNAPOLBTHRBMC4R
SCHEMBL674830 0.86 CYP2D6 (0.38)
SCHEMBL7156739 0.85 HRH3 (0.35) TP53LMNATHRBMC4R
SCHEMBL5077602 0.83 KDM4E (0.40) LMNAMAPT
SCHEMBL5077604 0.83 KDM4E (0.40) LMNAMAPT

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-20030162808-A1 Acetindine derivatives, their preparation and medicaments containing them AVENTIS PHARMA S.A. (FR) 2003-08-28 US disclosed
US-6518264-B2 For treatment/prevention of psychoses, other brain disorders, and cardiovascular disorders AVENTIS PHARMA S.A. (FR) 2003-02-11 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-20030162808-A1 Acetindine derivatives, their preparation and medicaments containing them ADRA1D, ADRB2, AZI2 TP53 3771/4885LMNA 3266/4885POLB 4043/4885

“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.