Sugi Predict

Sugi Predict / Compounds / SCHEMBL6777671

SCHEMBL6777671

SCHEMBL6777671

C[C@@H]1CN(c2ccc3ccccc3n2)C[C@H](C)N1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 7/20 0.55
▸ HTR3E A5X5Y0 2/20 0.55
▸ KDM4E B2RXH2 2/20 0.55
▸ HTR3B O95264 2/20 0.55
▸ ALDH1A1 P00352 2/20 0.55
▸ CYP1A2 P05177 2/20 0.55
▸ HTR3A P46098 2/20 0.55
▸ HTR3D Q70Z44 2/20 0.55
▸ HTR3C Q8WXA8 2/20 0.55
▸ USP2 O75604 1/20 0.55
▸ ADRB1 P08588 1/20 0.55
▸ CYP3A4 P08684 1/20 0.55
▸ HTR1A P08908 1/20 0.55
▸ HTR2C P28335 1/20 0.55
▸ MAPK1 P28482 1/20 0.55
▸ SLC6A4 P31645 1/20 0.55
▸ HTR7 P34969 1/20 0.55
▸ HTT P42858 1/20 0.55
▸ HTR6 P50406 1/20 0.55
▸ PMP22 Q01453 1/20 0.55

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
SCHEMBL6777676 1.00 HRH3 (0.55) HRH3HTR3EKDM4EHTR3BALDH1A1
SCHEMBL15221652 0.85 HRH3 (0.60) HRH3HTR3EKDM4EHTR3BALDH1A1
SCHEMBL5912678 0.83 KDM4E (0.63) HRH3HTR3EKDM4EHTR3BALDH1A1
SCHEMBL3969056 0.83 KDM4E (0.63) HRH3HTR3EKDM4EHTR3BALDH1A1
SCHEMBL5912806 0.83 KDM4E (0.63) HRH3HTR3EKDM4EHTR3BALDH1A1
SCHEMBL23744099 0.80 PDE10A (0.42) PDE10A
SCHEMBL30345515 0.80 PDE10A (0.42) PDE10A
SCHEMBL30345709 0.80 PDE10A (0.47) PDE10A
SCHEMBL23744763 0.80 PDE10A (0.47) PDE10A
SCHEMBL23744190 0.79 HTR3A (0.56) KDM4EALDH1A1HTR3AHTTHRH4

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 4 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
EP-1255736-A2 SUBSTITUTED PIPERAZINE DERIVATIVES AND THEIR USE AS INHIBITORS OF THE MICROSOMAL TRIGLYCERIDE TRANSFER PROTEIN (MTP) Boehringer Ingelheim Pharma KG (DE) 2002-11-13 — — EP disclosed
WO-2001047898-A2 SUBSTITUTED PIPERAZINE DERIVATIVES AND THEIR USE AS INHIBITORS OF THE MICROSOMAL TRIGLYCERIDE TRANSFER PROTEIN (MTP) BOEHRINGER INGELHEIM PHARMA KG (DE) 2001-07-05 — — WO 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 HRH3 2710/4885HTR3E 3268/4885KDM4E 3253/4885

“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.