SCHEMBL2863030

SCHEMBL2863030

NCCN1CCC(=C2c3ccccc3C=Cc3ccccc32)CC1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SETD7 Q8WTS6 7/20 0.68
DRD3 P35462 3/20 0.64
HTR1A P08908 3/20 0.64
DRD2 P14416 3/20 0.64
CHRM2 P08172 2/20 0.64
ADRA2A P08913 2/20 0.64
CYP2D6 P10635 2/20 0.64
CHRM1 P11229 2/20 0.64
DRD1 P21728 2/20 0.64
TBXA2R P21731 2/20 0.64
SLC6A2 P23975 2/20 0.64
SLC6A4 P31645 2/20 0.64
CYP2C19 P33261 2/20 0.64
ADRA1A P35348 2/20 0.64
OPRM1 P35372 2/20 0.64
SLC6A3 Q01959 2/20 0.64
KCNH2 Q12809 2/20 0.64
HTR2A P28223 2/20 0.64
HTR6 P50406 2/20 0.64
ABCB11 O95342 1/20 0.64

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
Hydrochloric Acid SCHEMBL6801909 0.98 SETD7 (0.66) SETD7DRD3HTR1ADRD2CHRM2
SCHEMBL6803898 0.91 SETD7 (0.71) SETD7DRD3HTR1ADRD2CHRM2
SCHEMBL9455504 0.84 SETD7 (0.68) SETD7DRD3HTR1ADRD2CHRM2
Hydrochloric Acid SCHEMBL7212508 0.83 SETD7 (0.77) SETD7DRD3HTR1ADRD2CHRM2
SCHEMBL6808721 0.83 SETD7 (0.65) SETD7DRD3HTR1ADRD2CHRM2
SCHEMBL9034546 0.82 SETD7 (0.64) SETD7DRD3HTR1ADRD2CHRM2
SCHEMBL7218739 0.82 SETD7 (0.75) SETD7DRD3HTR1ADRD2CHRM2
Hydrochloric Acid SCHEMBL7212638 0.81 SETD7 (0.62) SETD7DRD3HTR1ADRD2CHRM2
SCHEMBL10408872 0.81 SETD7 (0.62) SETD7DRD3HTR1ADRD2CHRM2
SCHEMBL10409953 0.81 SETD7 (0.67) SETD7DRD3HTR1ADRD2CHRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8278329-B2 Antagonizing N-type calcium channels; use as analgesic, neurodegenerative diseases, brain injury, bronchial asthma, unstable angina and irritable colitis, drug withdrawal symptoms; t-butyl 2-[4-(5H-dibenzo[a,d][7]annulen-5-ylidene)-1-piperidinyl]-2-oxoethylcarbamate for example AJINOMOTO CO., INC. (JP) 2012-10-02 US disclosed
US-7713957-B2 Pharmaceutical composition containing gabapentin or pregabalin and N-type calcium channel antagonist AJINOMOTO CO., INC. (JP) 2010-05-11 US disclosed
US-7462630-B2 Diarylalkene derivatives and novel diarylalkane derivatives AJINOMOTO CO., INC. (JP) 2008-12-09 US disclosed
US-20080058311-A1 NOVEL DIARYLALKENE DERIVATIVES AND NOVEL DIARYLALKANE DERIVATIVES AJINOMOTO CO., INC. (JP) 2008-03-06 US disclosed
US-20050009814-A1 Pharmaceutical composition containing gabapentin or pregabalin and N-type calcium channel antagonist AJINOMOTO CO., INC. (JP) 2005-01-13 US disclosed
EP-1481673-A1 MEDICINAL COMPOSITIONS CONTAINING GABAPENTIN OR PREGABALIN AND N-TYPE CALCIUM CHANNEL ANTAGONIST Ajinomoto Co., Inc. (JP) 2004-12-01 EP disclosed
US-20040167118-A1 Novel diarylalkene derivatives and novel diarylalkane derivatives AJINOMOTO CO., INC. (JP) 2004-08-26 US disclosed
EP-0976735-B1 PROCESS FOR PRODUCING PIPERIDINECARBOXYLIC ACID AMIDES AJINOMOTO KK (JP) 2003-10-29 EP disclosed
EP-1325913-A2 Piperidinecarboxylic acid amide derivatives Ajinomoto Co., Inc. (JP) 2003-07-09 EP disclosed
US-6355804-B1 REACTING 2-OXAZOLINE COMPOUND WITH PIPERIDINE DERIVATIVE OR SALT THEREOF, IN PRESENCE OF ACID AJINOMOTO CO., INC. (JP) 2002-03-12 US disclosed
US-6207834-B1 REACTING 2-OXAZOLINE COMPOUND WITH A PIPERIDINE DERIVATIVE AJINOMOTO CO., INC. (JP) 2001-03-27 US disclosed
EP-0976735-A1 PROCESS FOR PRODUCING PIPERIDINECARBOXYLIC ACID AMIDES Ajinomoto Co., Inc. (JP) 2000-02-02 EP disclosed
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-20050009814-A1 Pharmaceutical composition containing gabapentin or pregabalin and N-type calcium channel antagonist CACNA1B, CACNA1G, CACNA1C SETD7 4652/4885DRD3 941/4885HTR1A 1771/4885
US-20040167118-A1 Novel diarylalkene derivatives and novel diarylalkane derivatives CACNA1E, CACNA1H, CACNA1D SETD7 3137/4885DRD3 499/4885HTR1A 431/4885
US-20080058311-A1 NOVEL DIARYLALKENE DERIVATIVES AND NOVEL DIARYLALKANE DERIVATIVES CACNA1E, CACNA1D, CACNA1H SETD7 2986/4885DRD3 305/4885HTR1A 435/4885

“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.