SCHEMBL6767142

SCHEMBL6767142

COc1ccc(CNC(=O)C2(CCCCN3CCCN(c4nc5ccccc5s4)CC3)c3ccccc3-c3ccccc32)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.52
MAPT P10636 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
TP53 P04637 2/20 0.43
HTR1A P08908 8/20 0.43
HTR7 P34969 8/20 0.43
CYP1A2 P05177 2/20 0.42
CYP2C9 P11712 2/20 0.42
CYP2D6 P10635 1/20 0.42
DRD2 P14416 4/20 0.42
HTR6 P50406 3/20 0.42
CYP3A4 P08684 1/20 0.42
GAA P10253 1/20 0.42
CYP2C19 P33261 1/20 0.42
KMT2A Q03164 1/20 0.42
SMYD2 Q9NRG4 1/20 0.41
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40
SLC6A4 P31645 1/20 0.40
HRH1 P35367 1/20 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
SCHEMBL6769569 0.97 RAB9A (0.55) RAB9AMAPTSMN1; SMN2HTR1AHTR7
SCHEMBL6770951 0.90 SMN1; SMN2 (0.47) RAB9ASMN1; SMN2TP53HTR1AHTR7
SCHEMBL7601062 0.87 RAB9A (0.54) RAB9AMAPTSMN1; SMN2HTR1AHTR7
SCHEMBL6766414 0.87 SMN1; SMN2 (0.47) RAB9AMAPTSMN1; SMN2TP53HTR1A
SCHEMBL6766720 0.86 RAB9A (0.47) RAB9AMAPTSMN1; SMN2TP53HTR1A
SCHEMBL6775827 0.84 MTTP (0.51) SMN1; SMN2TP53HTR1AHTR7DRD2
SCHEMBL6771329 0.82 ALDH1A1 (0.49) MAPTHTR1AHTR7DRD2HTR6
SCHEMBL6770007 0.82 SLC6A2 (0.49) HTR1AHTR7DRD2HTR6HTR2A
SCHEMBL7594980 0.82 SMN1; SMN2 (0.46) RAB9ASMN1; SMN2TP53HTR1AHTR7
SCHEMBL6769573 0.81 MTTP (0.53) RAB9AMAPTDRD3

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 3175/4885MAPT 4265/4885SMN1; SMN2 4276/4885

“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.