SCHEMBL6772724

SCHEMBL6772724

O=C(NCc1ccc(F)cc1)C1(CCCCBr)c2ccccc2Oc2ccccc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.42
NPC1 O15118 1/20 0.42
POLB P06746 1/20 0.42
MAOB P27338 1/20 0.42
ALDH1A1 P00352 7/20 0.40
LMNA P02545 5/20 0.40
TP53 P04637 1/20 0.40
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
ALOX12 P18054 1/20 0.39
RECQL P46063 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C19 P33261 1/20 0.39
HPGD P15428 3/20 0.39
KDM4E B2RXH2 2/20 0.39
TSHR P16473 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ERAP1 Q9NZ08 1/20 0.37
PLA2G1B P04054 1/20 0.37
ATG4B Q9Y4P1 1/20 0.37

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
SCHEMBL6766560 0.87 POLB (0.45) RAB9ANPC1POLBMAOBALDH1A1
SCHEMBL5863425 0.81 MTTP (0.48)
SCHEMBL6770322 0.79 KMT2A (0.46) ALDH1A1KMT2AMEN1HPGDTSHR
SCHEMBL5863883 0.78 SMN1; SMN2 (0.42) TP53SMN1; SMN2
SCHEMBL5863230 0.78 MTTP (0.46)
SCHEMBL6766394 0.76 P2RX4 (0.34)
SCHEMBL6777758 0.75 P2RX7 (0.46)
SCHEMBL6766827 0.75 P2RX4 (0.35)
Hydrochloric Acid SCHEMBL6766830 0.75 ALOX5 (0.33) ALDH1A1HPGD
SCHEMBL6771422 0.74 HTT (0.44) ALDH1A1KDM4ETSHRSMN1; 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 RAB9A 3175/4885NPC1 10/4885POLB 2668/4885

“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.