SCHEMBL6777038

SCHEMBL6777038

Cn1c(N2CCCNCC2)nc2ccccc21

nearest known ligand 0.88

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 8/20 0.58
HSD11B1 P28845 2/20 0.51
NCF1 P14598 1/20 0.51
CHRNB2 P17787 1/20 0.50
CHRNA4 P43681 1/20 0.50

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
SCHEMBL2709699 0.94 HTR3A (0.63) HTR3AHSD11B1
Hydrochloric Acid SCHEMBL29689100 0.92 HTR3A (0.62) HTR3AHSD11B1
SCHEMBL14685202 0.86 HSD11B1 (0.60) HSD11B1
SCHEMBL14685207 0.86 HSD11B1 (0.60) HSD11B1
SCHEMBL4940460 0.84 HSD11B1 (0.58) HSD11B1
SCHEMBL6599886 0.81 HTR3A (0.67) HTR3A
SCHEMBL6596582 0.81 HTR3A (0.66) HTR3A
SCHEMBL7621226 0.81 HTR3A (0.63) HTR3A
Hydrochloric Acid SCHEMBL7484420 0.80 HTR3A (0.66) HTR3A
Iodide SCHEMBL7628527 0.80 HTR3A (0.65) HTR3A

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 HTR3A 2835/4885HSD11B1 978/4885NCF1 1310/4885

“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.