SCHEMBL6766832

SCHEMBL6766832

C[C@@H]1CN(c2nc3ccccc3n2C)C[C@H](C)N1CCCCC1(C(=O)NCc2ccc(F)cc2)c2ccccc2-c2ccccc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.44
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.41
HTT P42858 1/20 0.41
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
TP53 P04637 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
CYP2D6 P10635 3/20 0.37
HRH1 P35367 3/20 0.37
CHRM1 P11229 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
MAPT P10636 1/20 0.37
GAA P10253 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
KCNH2 Q12809 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C19 P33261 1/20 0.35

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
SCHEMBL7608410 0.88 PKM (0.42) PKMALDH1A1LMNAHTTKMT2A
SCHEMBL6770343 0.87 MTTP (0.46) CHRM1KCNH2
SCHEMBL6766930 0.87 ALDH1A1 (0.51) PKMALDH1A1LMNAHTTKMT2A
SCHEMBL6771750 0.87 HTR1A (0.42) PKMHTTTP53SMN1; SMN2
SCHEMBL6768217 0.85 ALDH1A1 (0.41) ALDH1A1LMNAHTTKMT2AMEN1
SCHEMBL6767091 0.85 MTTP (0.40) ALDH1A1LMNAHTTKMT2AMEN1
SCHEMBL6769386 0.85 POLB (0.36) PKMHTTTP53SMN1; SMN2
SCHEMBL6767421 0.83 MAPT (0.37) ALDH1A1KMT2AMEN1TP53MAPT
SCHEMBL6793958 0.82 CHRM4 (0.40) ALDH1A1MAPT
SCHEMBL6771866 0.81 ALDH1A1 (0.58) ALDH1A1TP53RXFP1SMN1; SMN2

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-6821967-B2 AMINES SUCH AS 9-(4-(4-(BENZOTHIAZOL-2-YL)-PIPERAZIN-1-YL)-BUTYL)-9H-FLUORENE-9-CARBOXYLIC ACID (2,2,2-TRIFLUOROETHYL) AMIDE, USED AS MICROSOMAL TRIGLYCERIDE TRANSFER PROTEIN ANTAGONISTS, TO PREVENT ATHEROSCLEROSIS OR HYPERLIPEMIA BOEHRINGER INGELHEIM PHARMA KG (DE) 2004-11-23 US disclosed
US-20030166637-A1 Substituted piperazine derivatives, the preparation thereofand their use as medicaments BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2003-09-04 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-20030166637-A1 Substituted piperazine derivatives, the preparation thereofand their use as medicaments MTTP, CETP, CPT1A PKM 912/4885ALDH1A1 715/4885LMNA 950/4885

“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.