SCHEMBL6891286

SCHEMBL6891286

Nc1ccc(C(c2ccccc2)C2CNCCN2Cc2ccccc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 4/20 0.41
SLC6A2 P23975 2/20 0.41
SIGMAR1 Q99720 1/20 0.40
CYP2C19 P33261 1/20 0.39
ALDH1A1 P00352 1/20 0.37
TACR1 P25103 1/20 0.37
TDP1 Q9NUW8 1/20 0.37

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
SCHEMBL1189619 0.80 SIGMAR1 (0.47) SLC6A4SLC6A2SIGMAR1CYP2C19TDP1
SCHEMBL6008596 0.78 SIGMAR1 (0.45) SLC6A4SLC6A2SIGMAR1CYP2C19TDP1
SCHEMBL26893117 0.77 SIGMAR1 (0.47) SLC6A4SLC6A2SIGMAR1CYP2C19ALDH1A1
SCHEMBL19486854 0.77 SIGMAR1 (0.47) SLC6A4SLC6A2SIGMAR1CYP2C19ALDH1A1
Hydrochloric Acid SCHEMBL6335769 0.76 KDM4E (0.39) SLC6A4SLC6A2ALDH1A1TDP1
SCHEMBL16757387 0.76 TDP1 (0.42) SLC6A4SLC6A2CYP2C19ALDH1A1TACR1
Hydrochloric Acid SCHEMBL8693217 0.74 TDP1 (0.43) SLC6A4SLC6A2SIGMAR1CYP2C19ALDH1A1
SCHEMBL16757280 0.74 TDP1 (0.46) SLC6A4SLC6A2CYP2C19ALDH1A1TACR1
SCHEMBL5683230 0.74 TDP1 (0.41) SLC6A4SLC6A2CYP2C19TACR1TDP1
SCHEMBL7337323 0.74 TDP1 (0.42) TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1997023466-A1 NOVEL COMPOUNDS WITH ANALGESIC EFFECT ASTRA PHARMA INC. (CA) 1997-07-03 WO claimed
US-20040138228-A1 Novel compounds with analgesic effect ASTRAZENECA CANADA INC. 2004-07-15 US disclosed
WO-1997023466-A1 NOVEL COMPOUNDS WITH ANALGESIC EFFECT ASTRA PHARMA INC. (CA) 1997-07-03 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-20040138228-A1 Novel compounds with analgesic effect OPRL1, OPRK1, OPRM1 SLC6A4 1098/4885SLC6A2 1081/4885SIGMAR1 12/4885

“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.