SCHEMBL6770951

SCHEMBL6770951

O=C(NCc1ccc(F)cc1)C1(CCCCN2CCCN(c3nc4ccccc4s3)CC2)c2ccccc2-c2ccccc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.47
ALDH1A1 P00352 2/20 0.45
ALOX15 P16050 1/20 0.45
POLB P06746 2/20 0.43
TP53 P04637 1/20 0.43
DRD3 P35462 4/20 0.42
DRD2 P14416 3/20 0.42
HTR2A P28223 3/20 0.42
HTR7 P34969 3/20 0.42
SLC6A4 P31645 2/20 0.42
HTR1A P08908 1/20 0.42
HTR2C P28335 1/20 0.42
HRH1 P35367 1/20 0.42
HPGD P15428 1/20 0.41
HTT P42858 1/20 0.41
DRD4 P21917 1/20 0.41
LMNA P02545 1/20 0.41
GAA P10253 1/20 0.41
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40

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
SCHEMBL6766414 0.97 SMN1; SMN2 (0.47) SMN1; SMN2ALDH1A1ALOX15POLBTP53
SCHEMBL6767142 0.90 RAB9A (0.52) SMN1; SMN2TP53DRD3DRD2HTR2A
SCHEMBL7594980 0.90 SMN1; SMN2 (0.46) SMN1; SMN2ALDH1A1ALOX15POLBTP53
SCHEMBL6775827 0.88 MTTP (0.51) SMN1; SMN2POLBTP53DRD3DRD2
SCHEMBL6769569 0.87 RAB9A (0.55) SMN1; SMN2POLBDRD2HTR7HTR1A
SCHEMBL6766720 0.87 RAB9A (0.47) SMN1; SMN2POLBTP53DRD3DRD2
SCHEMBL7599324 0.86 SMN1; SMN2 (0.46) SMN1; SMN2ALDH1A1ALOX15POLBTP53
SCHEMBL6769573 0.84 MTTP (0.53) DRD3LMNANPC1RAB9A
SCHEMBL6768217 0.83 ALDH1A1 (0.41) SMN1; SMN2ALDH1A1ALOX15POLBHPGD
SCHEMBL6766583 0.82 MTTP (0.51) SMN1; SMN2POLBTP53DRD3DRD2

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 4276/4885ALDH1A1 715/4885ALOX15 2190/4885

“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.