SCHEMBL16158780

SCHEMBL16158780

Cc1cnc(N(C)C(C)C)c(Cl)c1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ GLP1R P43220 1/20 0.41
▸ TRPM8 Q7Z2W7 1/20 0.37
▸ LMNA P02545 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ APLNR P35414 1/20 0.33
▸ KMT2A Q03164 2/20 0.32
▸ CCR1 P32246 1/20 0.31
▸ CCR5 P51681 1/20 0.31
▸ CCR8 P51685 1/20 0.31
▸ NOS3 P29474 1/20 0.31
▸ NOS1 P29475 1/20 0.31
▸ NOS2 P35228 1/20 0.31
▸ ALDH1A1 P00352 2/20 0.30
▸ NPSR1 Q6W5P4 1/20 0.30
▸ CRHR1 P34998 1/20 0.30
▸ LATS1 O95835 1/20 0.30

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
SCHEMBL12250798 0.81 NOS3 (0.42) GLP1RAPLNRKMT2ACCR1CCR5
SCHEMBL15061930 0.80 NOS3 (0.40) GLP1RTRPM8LMNAHTTL3MBTL1
SCHEMBL16160035 0.76 LMNA (0.59) TRPM8LMNAHTTL3MBTL1KMT2A
SCHEMBL12250800 0.75 S1PR1 (0.38) GLP1RAPLNRKMT2ANOS3NOS1
SCHEMBL11541402 0.74 ALDH1A1 (0.48) GLP1RLMNAHTTKMT2AALDH1A1
SCHEMBL1179271 0.72 P2RY12 (0.47) HTTL3MBTL1ALDH1A1NPSR1
SCHEMBL17532955 0.72 PGK1 (0.39) TRPM8LMNAHTTL3MBTL1KMT2A
SCHEMBL12248259 0.68 CCR1 (0.35) GLP1RLMNAAPLNRKMT2ACCR1
SCHEMBL11564854 0.68 TRPM8 (0.44) TRPM8LMNAHTTKMT2AALDH1A1
SCHEMBL1935288 0.68 GLP1R (0.41) GLP1RALDH1A1LATS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9173395-B2 Use of substituted isoquinolinones, isoquinolindiones, isoquinolintriones and dihydroisoquinolinones or in each case salts thereof as active agents against abiotic stress in plants BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-11-03 — — US disclosed
US-20140302987-A1 USE OF SUBSTITUTED ISOQUINOLINONES, ISOQUINOLINDIONES, ISOQUINOLINTRIONES AND DIHYDROISOQUINOLINONES OR IN EACH CASE SALTS THEREOF AS ACTIVE AGENTS AGAINST ABIOTIC STRESS IN PLANTS BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-10-09 — — 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-20140302987-A1 USE OF SUBSTITUTED ISOQUINOLINONES, ISOQUINOLINDIONES, ISOQUINOLINTRIONES AND DIHYDROISOQUINOLINONES OR IN EACH CASE SALTS THEREOF AS ACTIVE AGENTS AGAINST ABIOTIC STRESS IN PLANTS NQO1, NFE2, NDUFS1 GLP1R 4542/4885TRPM8 4160/4885LMNA 4155/4885

“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.

Send feedback