SCHEMBL6766720

SCHEMBL6766720

CCCNC(=O)C1(CCCCN2CCCN(c3nc4ccccc4s3)CC2)c2ccccc2-c2ccccc21

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.47
NPC1 O15118 4/20 0.47
MAPT P10636 4/20 0.46
LMNA P02545 2/20 0.46
SMN1; SMN2 Q16637 4/20 0.46
POLB P06746 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
FPR3 P25089 1/20 0.43
FPR2 P25090 1/20 0.43
HTR2A P28223 2/20 0.43
SLC6A4 P31645 2/20 0.43
HTR7 P34969 2/20 0.43
DRD3 P35462 2/20 0.43
HTR1A P08908 1/20 0.43
DRD2 P14416 1/20 0.43
HTR2C P28335 1/20 0.43
HRH1 P35367 1/20 0.43

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
SCHEMBL6775827 0.88 MTTP (0.51) SMN1; SMN2POLBHTR2ASLC6A4HTR7
SCHEMBL6770951 0.87 SMN1; SMN2 (0.47) RAB9ANPC1LMNASMN1; SMN2POLB
SCHEMBL6767142 0.86 RAB9A (0.52) RAB9AMAPTSMN1; SMN2CYP1A2CYP2D6
SCHEMBL6769573 0.85 MTTP (0.53) RAB9ANPC1MAPTLMNADRD3
SCHEMBL6766414 0.83 SMN1; SMN2 (0.47) RAB9ANPC1MAPTLMNASMN1; SMN2
SCHEMBL6769569 0.83 RAB9A (0.55) RAB9ANPC1MAPTSMN1; SMN2POLB
SCHEMBL6766583 0.82 MTTP (0.51) RAB9ANPC1MAPTLMNASMN1; SMN2
SCHEMBL6777257 0.80 ALDH1A1 (0.45) FPR3DRD3
SCHEMBL6767936 0.80 HTR1A (0.53) HTR2ASLC6A4DRD3HTR1ADRD2
SCHEMBL6770501 0.80 MTTP (0.43) RAB9ANPC1MAPTLMNASMN1; SMN2

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 3175/4885NPC1 10/4885MAPT 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.