SCHEMBL6770164

SCHEMBL6770164

O=C(NCc1ccccn1)C1(CCCCBr)c2ccccc2-c2ccccc21

nearest known ligand 0.63

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.48
POLB P06746 3/20 0.46
RAB9A P51151 3/20 0.45
NPC1 O15118 2/20 0.45
LMNA P02545 2/20 0.44
HTT P42858 2/20 0.44
KMT2A Q03164 1/20 0.44
HPGD P15428 2/20 0.44
ALOX15 P16050 1/20 0.43
ALDH1A1 P00352 3/20 0.43
KDM4E B2RXH2 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
GLA P06280 1/20 0.42
GAA P10253 1/20 0.42
HIF1A Q16665 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
SCHEMBL6647636 0.85 HPGD (0.54) SMN1; SMN2POLBRAB9ANPC1LMNA
SCHEMBL6771422 0.82 HTT (0.44) SMN1; SMN2HTTALDH1A1KDM4EGAA
SCHEMBL7599268 0.82 SMN1; SMN2 (0.46) SMN1; SMN2POLBRAB9ANPC1LMNA
SCHEMBL5863883 0.82 SMN1; SMN2 (0.42) SMN1; SMN2
SCHEMBL6646932 0.80 SMN1; SMN2 (0.51) SMN1; SMN2POLBRAB9ANPC1LMNA
SCHEMBL6771133 0.79 HPGD (0.47) POLBLMNAHTTKMT2AHPGD
SCHEMBL5863393 0.79 MTTP (0.47)
SCHEMBL6766560 0.79 POLB (0.45) POLBRAB9ANPC1LMNAKMT2A
SCHEMBL6649669 0.77 MTTP (0.64) HPGD
SCHEMBL6766343 0.77 MTTP (0.48)

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 SMN1; SMN2 4276/4885POLB 2668/4885RAB9A 3175/4885

“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.