SCHEMBL6803898

SCHEMBL6803898

NCCCN1CCC(=C2c3ccccc3C=Cc3ccccc32)CC1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SETD7 Q8WTS6 5/20 0.71
CYP2D6 P10635 2/20 0.60
DRD2 P14416 2/20 0.60
DRD3 P35462 2/20 0.60
ABCB11 O95342 1/20 0.60
ALDH1A1 P00352 1/20 0.60
TP53 P04637 1/20 0.60
CYP1A2 P05177 1/20 0.60
CHRM2 P08172 1/20 0.60
CHRM4 P08173 1/20 0.60
HTR1A P08908 1/20 0.60
CHRM5 P08912 1/20 0.60
ADRA2A P08913 1/20 0.60
CHRM1 P11229 1/20 0.60
TSHR P16473 1/20 0.60
ADRA2B P18089 1/20 0.60
ADRA2C P18825 1/20 0.60
CHRM3 P20309 1/20 0.60
DRD1 P21728 1/20 0.60
TBXA2R P21731 1/20 0.60

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
SCHEMBL2863030 0.91 SETD7 (0.68) SETD7CYP2D6DRD2DRD3ABCB11
Hydrochloric Acid SCHEMBL6801909 0.90 SETD7 (0.66) SETD7CYP2D6DRD2DRD3ABCB11
SCHEMBL7218739 0.85 SETD7 (0.75) SETD7CYP2D6DRD2DRD3ABCB11
SCHEMBL9035995 0.83 SETD7 (1.00) SETD7CYP2D6DRD2DRD3ABCB11
SCHEMBL9034865 0.83 SETD7 (1.00) SETD7CYP2D6DRD2DRD3ABCB11
SCHEMBL7217901 0.83 SETD7 (1.00) SETD7CYP2D6DRD2DRD3ABCB11
SCHEMBL9034270 0.83 SETD7 (1.00) SETD7CYP2D6DRD2DRD3ABCB11
SCHEMBL9034692 0.83 SETD7 (1.00) SETD7CYP2D6DRD2DRD3ABCB11
SCHEMBL9036366 0.83 SETD7 (1.00) SETD7CYP2D6DRD2DRD3ABCB11
SCHEMBL7310391 0.83 SETD7 (1.00) SETD7CYP2D6DRD2DRD3ABCB11

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040063701-A1 Piperidine derivatives and anti-platelet agents containing the same AJINOMOTO CO., INC (JP) 2004-04-01 US claimed
US-20020147195-A1 Piperidine derivatives and anti-platelet agents containing the same AJINOMOTO CO., INC. (JP) 2002-10-10 US claimed
US-20020019533-A1 PIPERIDINE DERIVATIVES AND ANTI-PLATELET AGENTS CONTAINING THE SAME MAKINO SHINGO (JP) 2002-02-14 US claimed
EP-0682015-A1 Piperidine derivates and anti-platelet agents containing the same Ajinomoto Co., Inc. (JP) 1995-11-15 EP claimed
US-4929621-A ANTIDEPRESSANTS, ANXIOLYTIC AGENTS SYNTHELABO (FR) 1990-05-29 US disclosed
US-4891376-A MIGRAINE SYNTHELABO (FR) 1990-01-02 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 (3 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-20020019533-A1 PIPERIDINE DERIVATIVES AND ANTI-PLATELET AGENTS CONTAINING THE SAME HTR2A, PDGFRA, PDGFRB SETD7 3304/4885CYP2D6 3406/4885DRD2 37/4885
US-20020147195-A1 Piperidine derivatives and anti-platelet agents containing the same HTR2A, PDGFRA, PDGFRB SETD7 3304/4885CYP2D6 3406/4885DRD2 37/4885
US-20040063701-A1 Piperidine derivatives and anti-platelet agents containing the same HTR2A, PDGFRA, PDGFRB SETD7 3304/4885CYP2D6 3406/4885DRD2 37/4885

“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.