SCHEMBL909548

SCHEMBL909548

CC(C#N)c1ccccc1.[Ar]

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.50
TSHR P16473 1/20 0.50
MIF P14174 2/20 0.40
TAAR1 Q96RJ0 3/20 0.39
KDM4E B2RXH2 2/20 0.38
ADRA2A P08913 1/20 0.38
ADRA2C P18825 1/20 0.38
CYP2D6 P10635 1/20 0.38
LMNA P02545 1/20 0.38
HIF1A Q16665 1/20 0.38
ALDH1A1 P00352 4/20 0.38
MAPT P10636 1/20 0.38
HSD17B10 Q99714 1/20 0.38
AKR1C3 P42330 1/20 0.38
AKR1C1 Q04828 1/20 0.38
NPC1 O15118 1/20 0.37
POLB P06746 1/20 0.37
GAA P10253 1/20 0.37
RAB9A P51151 1/20 0.37
ALOX5 P09917 1/20 0.36

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
SCHEMBL156029 0.97 TSHR (0.52) TRPA1TSHRMIFTAAR1KDM4E
SCHEMBL198507 0.97 TSHR (0.52) TRPA1TSHRMIFTAAR1KDM4E
SCHEMBL7039581 0.97 TSHR (0.52) TRPA1TSHRMIFTAAR1KDM4E
SCHEMBL28208618 0.97 TSHR (0.52) TRPA1TSHRMIFTAAR1KDM4E
SCHEMBL954845 0.84 PTGS2 (0.48) TRPA1TSHRALDH1A1
SCHEMBL6565095 0.84 ESR1 (0.43) TRPA1TSHRALDH1A1AKR1C3AKR1C1
SCHEMBL11144946 0.82 PBRM1 (0.45) TRPA1TSHRTAAR1KDM4EADRA2A
SCHEMBL5324135 0.82 PTGS2 (0.56) TSHRKDM4ECYP2D6LMNAHIF1A
SCHEMBL28153074 0.82 TRPA1 (0.39) TRPA1TSHRTAAR1KDM4ELMNA
SCHEMBL9079901 0.79 CTSK (0.48) TRPA1TSHR

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
EP-2072515-B1 Substituted quinazolidines for antidiabetic treatment 55PHARMA DRUG DISCOVERY & DEV AG (AT) 2011-08-31 EP disclosed
US-20110003808-A1 OCTAHYDROQUINOLIZINES FOR ANTIDIABETIC TREATMENT 55PHARMA DRUG DISCOVERY & DEVELOPMENT AG (AT) 2011-01-06 US disclosed
EP-2222673-A1 OCTAHYDROQUINOLI ZINES FOR ANTIDIABETIC TREATMENT 55pharma Drug Discovery & Development AG (AT) 2010-09-01 EP disclosed
WO-2009076693-A1 OCTAHYDROQUINOLI ZINES FOR ANTIDIABETIC TREATMENT 55PHARMA DRUG DISCOVERY & DEVELOPMENT AG (AT) 2009-06-25 WO disclosed
EP-2072515-A1 Substituted quinazolidines for antidiabetic treatment 55pharma Drug Discovery & Development AG (AT) 2009-06-24 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 (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-20110003808-A1 OCTAHYDROQUINOLIZINES FOR ANTIDIABETIC TREATMENT GPR119, LIPC, GLP1R TRPA1 2821/4885TSHR 2069/4885MIF 3171/4885

“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.