SCHEMBL6766560

SCHEMBL6766560

O=C(NCc1ccc(F)cc1)C1(CCCCBr)c2ccccc2-c2ccccc21

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.45
RAB9A P51151 2/20 0.45
NPC1 O15118 1/20 0.45
MAOB P27338 1/20 0.45
ALDH1A1 P00352 2/20 0.43
LMNA P02545 3/20 0.43
MTTP P55157 1/20 0.41
MEN1 O00255 1/20 0.41
ALOX12 P18054 1/20 0.41
RECQL P46063 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL5863883 0.91 SMN1; SMN2 (0.42) MTTP
SCHEMBL6772724 0.87 RAB9A (0.42) POLBRAB9ANPC1MAOBALDH1A1
SCHEMBL6777758 0.87 P2RX7 (0.46) MTTP
SCHEMBL6771422 0.87 HTT (0.44) ALDH1A1
SCHEMBL6771813 0.85 P2RX7 (0.48) MTTP
SCHEMBL6770262 0.85 NPC1 (0.48) RAB9ANPC1ALDH1A1MTTPMEN1
SCHEMBL7596505 0.81 POLB (0.41) POLBRAB9ANPC1MAOBALDH1A1
SCHEMBL5863393 0.81 MTTP (0.47) MTTP
SCHEMBL6772135 0.80 ALDH1A1 (0.53) ALDH1A1MEN1RECQLKMT2A
SCHEMBL6769865 0.79 CA12 (0.44) RAB9ANPC1ALDH1A1MTTP

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-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-6818644-B1 FLUORENE-9-CARBOXYLIC AMIDES; INHIBITORS OF MICROSOMAL TRIGLYSERIDE-TRANSFER PROTEIN (MTP); ANTILIPEMIC AGENTS; ATHEROSCLEROSIS, DIABETES, EATING DISORDERS, AND PANCREATITIS BOEHRINGER INGELHEIM PHARM GMBH & CO, KG (DE) 2004-11-16 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 POLB 2668/4885RAB9A 3175/4885NPC1 10/4885

“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.