SCHEMBL6770481

SCHEMBL6770481

O=C(NCC(F)(F)F)C1(CCCCN2CCN(c3cc(-c4ccccc4)c4ccccc4n3)CC2)c2ccccc2-c2ccccc21

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.54
ALDH1A1 P00352 2/20 0.54
LMNA P02545 2/20 0.54
MTTP P55157 8/20 0.53
CHRM2 P08172 1/20 0.53
ADRA2A P08913 1/20 0.53
ADORA3 P0DMS8 1/20 0.53
CHRM1 P11229 1/20 0.53
DRD1 P21728 1/20 0.53
TBXA2R P21731 1/20 0.53
PTGS1 P23219 1/20 0.53
SLC6A2 P23975 1/20 0.53
ADRA1A P35348 1/20 0.53
OPRM1 P35372 1/20 0.53
DRD3 P35462 1/20 0.53
SLC6A3 Q01959 1/20 0.53
KCNH2 Q12809 1/20 0.53
MTR Q99707 1/20 0.53
HPGD P15428 1/20 0.44
HTT P42858 1/20 0.44

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
SCHEMBL6776247 0.91 MTTP (0.51) ALDH1A1MTTPCHRM2ADRA2AADORA3
SCHEMBL6766384 0.86 DRD3 (0.53) MTTPCHRM2ADRA2AADORA3CHRM1
SCHEMBL6772696 0.85 MTTP (0.52) MTTPCHRM2ADRA2AADORA3CHRM1
SCHEMBL6769810 0.85 HTR1A (0.50) MTTPCHRM2ADRA2AADORA3CHRM1
SCHEMBL6794783 0.85 MTTP (0.55) MTTPCHRM2ADRA2AADORA3CHRM1
SCHEMBL6770192 0.84 MTTP (0.53) MTTPCHRM2ADRA2AADORA3CHRM1
SCHEMBL6787428 0.84 MTTP (0.52) MTTPCHRM2ADRA2AADORA3CHRM1
SCHEMBL6769275 0.83 DRD3 (0.50) MTTPCHRM2ADRA2AADORA3CHRM1
SCHEMBL6793521 0.83 MTTP (0.55) MTTPCHRM2ADRA2AADORA3CHRM1
SCHEMBL6771273 0.82 MTTP (0.49) MTTPCHRM2ADRA2AADORA3CHRM1

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 KDM4E 3253/4885ALDH1A1 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.