SCHEMBL15535172

SCHEMBL15535172

COc1cc(C#N)c(Cc2ccc(C(C)C)cc2)c(C#N)c1O

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 2/20 0.41
CASR P41180 1/20 0.39
CACNA1H O95180 1/20 0.39
GCGR P47871 2/20 0.38
EGFR P00533 1/20 0.37
ERBB2 P04626 1/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
CETP P11597 1/20 0.36
SLC5A1 P13866 1/20 0.35
SLC5A2 P31639 1/20 0.35
ALDH1A1 P00352 2/20 0.34
AR P10275 2/20 0.34
LMNA P02545 1/20 0.34
MAPK1 P28482 1/20 0.34
HSD17B10 Q99714 1/20 0.34
ALOX15 P16050 1/20 0.33
ALOX12 P18054 1/20 0.33
HTR2A P28223 1/20 0.33

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
SCHEMBL15535215 0.88 NPC1 (0.49) ERN1GCGREGFRERBB2NPC1
SCHEMBL28003069 0.88 AKR1C3 (0.42) LMNAHTR2A
SCHEMBL15534840 0.86 MAPK1 (0.36) NPC1RAB9ACETPALDH1A1AR
SCHEMBL15535175 0.86 AR (0.42) EGFRERBB2NPC1RAB9ACETP
SCHEMBL16969056 0.86 MAOB (0.42) ERN1CETPALDH1A1ARLMNA
SCHEMBL15548579 0.85 KDM4E (0.38) EGFRERBB2NPC1RAB9AALDH1A1
SCHEMBL15534789 0.85 KDM4E (0.43) ALDH1A1ARHSD17B10HTR2A
SCHEMBL15535478 0.85 SNCA (0.38) CACNA1HGCGRALDH1A1
SCHEMBL15535653 0.83 AR (0.38) NPC1RAB9ACETPALDH1A1AR
SCHEMBL22635700 0.82 MAPK1 (0.36) EGFRNPC1RAB9ACETPALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220047540-A1 CATECHOL O-METHYLTRANSFERASE ACTIVITY INHIBITING COMPOUNDS ORION CORP (FI) 2022-02-17 US disclosed
US-20200352898-A1 CATECHOL O-METHYLTRANSFERASE ACTIVITY INHIBITING COMPOUNDS ORION CORP (FI) 2020-11-12 US disclosed
US-20190029990-A1 CATECHOL O-METHYLTRANSFERASE ACTIVITY INHIBITING COMPOUNDS ORION CORP (FI) 2019-01-31 US disclosed
US-20170165219-A1 CATECHOL O-METHYLTRANSFERASE ACTIVITY INHIBITING COMPOUNDS ORION CORP (FI) 2017-06-15 US disclosed
EP-2855426-B1 CATECHOL O-METHYLTRANSFERASE ACTIVITY INHIBITING COMPOUNDS ORION CORP (FI) 2017-01-04 EP disclosed
US-9458128-B2 Catechol O-methyltransferase activity inhibiting compounds ORION CORPORATION (FI) 2016-10-04 US disclosed
US-20150218124-A1 CATECHOL O-METHYLTRANSFERASE ACTIVITY INHIBITING COMPOUNDS ORION CORPORATION (FI) 2015-08-06 US disclosed
EP-2855426-A1 CATECHOL O-METHYLTRANSFERASE ACTIVITY INHIBITING COMPOUNDS Orion Corporation (FI) 2015-04-08 EP disclosed
WO-2013175053-A1 CATECHOL O-METHYLTRANSFERASE ACTIVITY INHIBITING COMPOUNDS ORION CORPORATION (FI) 2013-11-28 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 (5 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-20170165219-A1 CATECHOL O-METHYLTRANSFERASE ACTIVITY INHIBITING COMPOUNDS COMT, PNMT, HNMT ERN1 3092/4885CASR 4696/4885CACNA1H 2533/4885
US-20200352898-A1 CATECHOL O-METHYLTRANSFERASE ACTIVITY INHIBITING COMPOUNDS COMT, PNMT, HNMT ERN1 3092/4885CASR 4696/4885CACNA1H 2533/4885
US-20190029990-A1 CATECHOL O-METHYLTRANSFERASE ACTIVITY INHIBITING COMPOUNDS COMT, PNMT, HNMT ERN1 3092/4885CASR 4696/4885CACNA1H 2533/4885
US-20150218124-A1 CATECHOL O-METHYLTRANSFERASE ACTIVITY INHIBITING COMPOUNDS COMT, PNMT, HNMT ERN1 3092/4885CASR 4696/4885CACNA1H 2533/4885
US-20220047540-A1 CATECHOL O-METHYLTRANSFERASE ACTIVITY INHIBITING COMPOUNDS COMT, PNMT, HNMT ERN1 3092/4885CASR 4696/4885CACNA1H 2533/4885

“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.