SCHEMBL12854656

SCHEMBL12854656

NCC(=O)N1CCC(=C2c3ccccc3C=Cc3ccccc32)CC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.55
MGLL Q99685 1/20 0.55
ABHD6 Q9BV23 1/20 0.55
SETD7 Q8WTS6 4/20 0.55
ABCB11 O95342 1/20 0.55
ALDH1A1 P00352 1/20 0.55
TP53 P04637 1/20 0.55
CYP1A2 P05177 1/20 0.55
CHRM2 P08172 1/20 0.55
CHRM4 P08173 1/20 0.55
HTR1A P08908 1/20 0.55
CHRM5 P08912 1/20 0.55
ADRA2A P08913 1/20 0.55
CYP2D6 P10635 1/20 0.55
CHRM1 P11229 1/20 0.55
DRD2 P14416 1/20 0.55
TSHR P16473 1/20 0.55
ADRA2B P18089 1/20 0.55
ADRA2C P18825 1/20 0.55
CHRM3 P20309 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
Hydrochloric Acid SCHEMBL2860599 0.99 MEN1 (0.56) FAAHMGLLABHD6SETD7ABCB11
SCHEMBL2862536 0.84 FAAH (0.54) FAAHMGLLABHD6SETD7ABCB11
SCHEMBL6804429 0.82 SMN1; SMN2 (0.56) FAAHMGLLABHD6SETD7ABCB11
Hydrochloric Acid SCHEMBL2867728 0.81 SETD7 (0.55) FAAHMGLLABHD6SETD7ALDH1A1
SCHEMBL2866884 0.80 FAAH (0.50) FAAHMGLLABHD6SETD7ABCB11
SCHEMBL7212343 0.79 FNTA (0.56) FAAHMGLLABHD6SETD7ABCB11
SCHEMBL9034660 0.79 SETD7 (0.64) FAAHMGLLABHD6SETD7ABCB11
Hydrochloric Acid SCHEMBL2864328 0.79 KMT2A (0.47) FAAHMGLLABHD6SETD7ABCB11
SCHEMBL12854661 0.79 SETD7 (0.48) FAAHMGLLABHD6SETD7ABCB11
Hydrochloric Acid SCHEMBL2864381 0.78 KMT2A (0.49) FAAHMGLLABHD6SETD7ABCB11

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 8 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-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-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-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-20080058311-A1 NOVEL DIARYLALKENE DERIVATIVES AND NOVEL DIARYLALKANE DERIVATIVES AJINOMOTO CO., INC. (JP) 2008-03-06 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-20080058311-A1 NOVEL DIARYLALKENE DERIVATIVES AND NOVEL DIARYLALKANE DERIVATIVES CACNA1E, CACNA1D, CACNA1H FAAH 1254/4885MGLL 3476/4885ABHD6 4217/4885

“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.