SCHEMBL3861841

SCHEMBL3861841

Cc1c[c]nc2c(C)cccc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 2/20 0.42
CYP1A2 P05177 1/20 0.42
ELANE P08246 4/20 0.38
PARP1 P09874 3/20 0.38
KDM4E B2RXH2 4/20 0.38
GAA P10253 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
HTR1A P08908 1/20 0.37
ADRA1D P25100 1/20 0.37
ADRA1A P35348 1/20 0.37
ADRA1B P35368 1/20 0.37
ALDH1A1 P00352 1/20 0.37
TDP1 Q9NUW8 2/20 0.37
PSMD14 O00487 1/20 0.36
COPS5 Q92905 1/20 0.36
MAPT P10636 1/20 0.36
MEN1 O00255 1/20 0.34
RAD52 P43351 1/20 0.34
KMT2A Q03164 1/20 0.34
TP53 P04637 1/20 0.34

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
SCHEMBL7954562 0.82 NR4A2 (0.41) CYP2A6CYP1A2PARP1KDM4EALDH1A1
SCHEMBL7952608 0.82 AR (0.36) CYP2A6CYP1A2PARP1KDM4EGAA
SCHEMBL5953588 0.80 ELANE (0.35) CYP2A6CYP1A2ELANEKDM4EALDH1A1
SCHEMBL7954070 0.80 NQO2 (0.42) KDM4EHTR1AADRA1DADRA1AADRA1B
SCHEMBL7452926 0.71 CCR1 (0.67) L3MBTL1HTR1AADRA1DADRA1AADRA1B
SCHEMBL2300051 0.70 OPRK1 (0.39) CYP1A2ALDH1A1PSMD14COPS5KMT2A
SCHEMBL2304470 0.67 METAP2 (0.38) CYP2A6ELANEPARP1GAAALDH1A1
SCHEMBL2301300 0.65 MAPT (0.33) CYP2A6CYP1A2ELANEPARP1KDM4E
SCHEMBL2607397 0.65 PSMD14 (0.68) CYP2A6CYP1A2PARP1L3MBTL1HTR1A
SCHEMBL8966258 0.64 KDM4E (0.69) CYP1A2ELANEPARP1KDM4EGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8193168-B2 Use of a TRPM5 inhibitor to regulate insulin and GLP-1 release REDPOINT BIO CORPORATION (US) 2012-06-05 US disclosed
EP-2107908-A2 USE OF A TRPM5 INHIBITOR TO REGULATE INSULIN AND GLP-1 RELEASE Redpoint Bio Corporation (US) 2009-10-14 EP disclosed
US-20080306030-A1 Use of a TRPM5 Inhibitor to Regulate Insulin and GLP-1 Release REDPOINT BIO CORPORATION (US) 2008-12-11 US disclosed
WO-2008097504-A2 USE OF A TRPM5 INHIBITOR TO REGULATE INSULIN AND GLP-1 RELEASE REDPOINT BIO CORPORATION (US) 2008-08-14 WO disclosed
US-5677347-A FUNGICIDES, PESTICIDES BASF AKTIENGESELLSCHAFT (DE) 1997-10-14 US disclosed
EP-0669315-B1 Ortho substituted phenylacetic acid amides BASF AG (DE) 1997-08-06 EP disclosed
US-5554578-A Oxime ether derivatives, their preparation and fungicides containing these derivatives BASF AKTIENGESELLSCHAFT (DE) 1996-09-10 US disclosed
US-5523454-A FUNGICIDES, PESTICIDES BASF AKTIENGESELLSCHAFT (DE) 1996-06-04 US disclosed
US-5516804-A FUNGICIDES FOR PLANTS BASF AKTIENGESELLSCHAFT (DE) 1996-05-14 US disclosed
EP-0477631-B1 Ortho substituted phenylacetic acid amides BASF AG (DE) 1995-11-22 EP disclosed
US-5468717-A Oxime ether derivatives, their preparation and fungicides containing these derivatives BASF AKTIENGESELLSCHAFT (DE) 1995-11-21 US disclosed
EP-0669315-A1 Ortho substituted phenylacetic acid amides BASF AKTIENGESELLSCHAFT (DE) 1995-08-30 EP disclosed
US-5395854-A Fungicides BASF AKTIENGESELLSCHAFT (DE) 1995-03-07 US disclosed
US-5334577-A 2-(substituted pyridy-oxymethyl)-phenylglyoxylate alkyloxime BASF AKTIENGESELLSCHAFT (DE) 1994-08-02 US disclosed
EP-0477631-A1 Ortho substituted phenylacetic acid amides BASF Aktiengesellschaft (DE) 1992-04-01 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-20080306030-A1 Use of a TRPM5 Inhibitor to Regulate Insulin and GLP-1 Release GLP1R, GIPR, TRPM5 CYP2A6 4275/4885CYP1A2 4676/4885ELANE 3090/4885

“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.