SCHEMBL6771836

SCHEMBL6771836

O=C(N1CCOCC1)C1(CCCCBr)c2ccccc2Oc2ccccc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.41
GAA P10253 3/20 0.38
MAPT P10636 2/20 0.38
ALDH1A1 P00352 2/20 0.38
TP53 P04637 2/20 0.38
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
SLC6A3 Q01959 1/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
THRB P10828 1/20 0.38
ALOX12 P18054 1/20 0.38
MAPK1 P28482 1/20 0.38
KMT2A Q03164 1/20 0.38
ATM Q13315 1/20 0.38
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
HPGD P15428 2/20 0.37
NPSR1 Q6W5P4 2/20 0.37
PHGDH O43175 1/20 0.36

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
SCHEMBL6766394 0.78 P2RX4 (0.34) THRBCYP2C9
Hydrochloric Acid SCHEMBL6766830 0.77 ALOX5 (0.33) ALDH1A1THRBHPGD
SCHEMBL6766827 0.77 P2RX4 (0.35)
SCHEMBL6771469 0.75 KDM4E (0.51) ALDH1A1KDM4E
SCHEMBL5863624 0.74 ALOX5 (0.35) THRBCYP2C9
SCHEMBL6648121 0.71 SMN1; SMN2 (0.46) SMN1; SMN2GAAALDH1A1SLC6A2SLC6A4
SCHEMBL6770322 0.69 KMT2A (0.46) SMN1; SMN2GAAMAPTALDH1A1MEN1
SCHEMBL5863425 0.69 MTTP (0.48) SLC6A2SLC6A3
SCHEMBL6772724 0.68 RAB9A (0.42) SMN1; SMN2ALDH1A1TP53KDM4EMEN1
SCHEMBL7599789 0.67 ALOX5 (0.32) MAPT

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 4276/4885GAA 1187/4885MAPT 4265/4885

“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.