SCHEMBL12486019

SCHEMBL12486019

NC(CN1CCCC1)c1cccnc1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 2/20 0.50
CHRNA4 P43681 2/20 0.50
KCNA5 P22460 3/20 0.43
KCNN4 O15554 1/20 0.43
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C19 P33261 1/20 0.41
CFTR P13569 1/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41
SLC6A3 Q01959 1/20 0.41
GOPC Q9HD26 1/20 0.41
KCNH2 Q12809 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
OPRK1 P41145 1/20 0.39
DRD2 P14416 1/20 0.38
DRD3 P35462 1/20 0.38
LTA4H P09960 1/20 0.38

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
SCHEMBL15385473 1.00 CHRNB2 (0.50) CHRNB2CHRNA4KCNA5KCNN4CYP1A2
SCHEMBL433071 0.79 ALDH1A1 (0.50) KCNA5CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL5561079 0.79 ALDH1A1 (0.50) KCNA5CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL2911573 0.79 ALDH1A1 (0.50) KCNA5CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL11627280 0.78 KCNA5 (0.50) CHRNB2CHRNA4KCNA5KCNN4CYP1A2
SCHEMBL28068532 0.78 MITF (0.48) CHRNB2CHRNA4KCNA5KCNN4KCNH2
Hydrochloric Acid SCHEMBL12487350 0.78 ALDH1A1 (0.53) KCNA5CYP1A2CYP3A4CYP2D6CYP2C19
Hydrochloric Acid SCHEMBL6009377 0.78 ALDH1A1 (0.53) KCNA5CYP1A2CYP3A4CYP2D6CYP2C19
Hydrochloric Acid SCHEMBL4347694 0.78 ALDH1A1 (0.53) KCNA5CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL15767970 0.78 ALDH1A1 (0.49) KCNA5CYP1A2CYP3A4CYP2D6CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9303027-B2 Kappa opioid receptor agonists DR. REDDY'S LABORATORIES LTD. (IN) 2016-04-05 US claimed
US-20130303525-A1 KAPPA OPIOID RECEPTOR AGONISTS DR. REDDY'S LABORATORIES, INC. (US) 2013-11-14 US claimed
US-9303027-B2 Kappa opioid receptor agonists DR. REDDY'S LABORATORIES LTD. (IN) 2016-04-05 US disclosed
US-20130303525-A1 KAPPA OPIOID RECEPTOR AGONISTS DR. REDDY'S LABORATORIES, INC. (US) 2013-11-14 US disclosed
WO-2012012410-A2 KAPPA OPIOID RECEPTOR AGONISTS DR. REDDY'S LABORATORIES LTD. (IN) 2012-01-26 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-20130303525-A1 KAPPA OPIOID RECEPTOR AGONISTS OPRK1, OPRL1, OPRD1 CHRNB2 93/4885CHRNA4 35/4885KCNA5 213/4885

“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.