SCHEMBL738186

SCHEMBL738186

O=C1OC2(CCNCC2)CN1c1ccncc1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 10/20 0.44
ADRA1A P35348 6/20 0.44
KCNH2 Q12809 5/20 0.44
CYP2D6 P10635 2/20 0.43
ALDH1A1 P00352 2/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
TSHR P16473 1/20 0.43
CYP2C19 P33261 1/20 0.43
SIGMAR1 Q99720 2/20 0.43
OPRM1 P35372 1/20 0.43
GRM5 P41594 2/20 0.40
ADRB2 P07550 1/20 0.40
NCF1 P14598 1/20 0.40
PLD1 Q13393 1/20 0.40
SSTR5 P35346 1/20 0.38
CDK4 P11802 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
SCHEMBL737322 0.85 OPRM1 (0.58) NPY5RADRA1AKCNH2CYP2D6TSHR
Bromide SCHEMBL3031379 0.84 OPRM1 (0.56) NPY5RADRA1AKCNH2CYP2D6TSHR
SCHEMBL736968 0.82 NPY5R (0.49) NPY5RADRA1AKCNH2SIGMAR1OPRM1
SCHEMBL669637 0.82 OPRM1 (0.43) NPY5RADRA1AKCNH2SIGMAR1OPRM1
SCHEMBL737144 0.82 OPRM1 (0.43) NPY5RADRA1AKCNH2SIGMAR1OPRM1
SCHEMBL23459280 0.82 OPRM1 (0.43) NPY5RADRA1AKCNH2SIGMAR1OPRM1
SCHEMBL11372471 0.82 HSD11B1 (0.45) NPY5RADRA1AKCNH2SIGMAR1OPRM1
SCHEMBL738187 0.81 NPY5R (0.40) NPY5RADRA1AKCNH2SIGMAR1OPRM1
Hydrochloric Acid SCHEMBL670765 0.81 OPRM1 (0.42) NPY5RADRA1AKCNH2SIGMAR1OPRM1
SCHEMBL10146464 0.80 KCNH2 (0.50) NPY5RADRA1AKCNH2SIGMAR1OPRM1

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-20170275298-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL WUXI APPTEC (SHANGHAI) CO., LTD. (CN) 2017-09-28 US disclosed
US-20170275298-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL WUXI APPTEC (SHANGHAI) CO., LTD. (CN) 2017-09-28 US disclosed
WO-2016065582-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL MERCK SHARP & DOHME CORP. (US) 2016-05-06 WO disclosed
US-8138206-B2 Piperidine derivative MSD. K.K. (JP) 2012-03-20 US disclosed
US-20090137576-A1 Novel Piperidine Derivative MSD K.K. (JP) 2009-05-28 US disclosed
EP-1892241-A1 NOVEL PIPERIDINE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2008-02-27 EP 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 (2 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-20090137576-A1 Novel Piperidine Derivative HRH4, HRH3, HRH1 NPY5R 385/4885ADRA1A 103/4885KCNH2 308/4885
US-20170275298-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL KCNJ11, KCNJ1, KCNJ2 NPY5R 2145/4885ADRA1A 526/4885KCNH2 22/4885

“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.