SCHEMBL2996857

SCHEMBL2996857

CNCc1ccncc1C

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 7/20 0.48
SLC6A4 P31645 7/20 0.48
AOC1 P19801 5/20 0.44
AOC3 Q16853 5/20 0.44
CYP2A6 P11509 3/20 0.42
HTT P42858 1/20 0.41
PRMT6 Q96LA8 2/20 0.39
EPHX2 P34913 1/20 0.39
CYP2D6 P10635 2/20 0.38
CYP2C9 P11712 2/20 0.38
CYP2C19 P33261 2/20 0.38
SLC6A3 Q01959 1/20 0.37
PRKCI P41743 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
SCHEMBL31407203 1.00 SLC6A2 (0.48) SLC6A2SLC6A4AOC1AOC3CYP2A6
SCHEMBL31407243 0.78 SLC6A2 (0.49) SLC6A2SLC6A4AOC1AOC3CYP2A6
SCHEMBL31407254 0.78 LOXL2 (0.57) SLC6A2SLC6A4AOC1AOC3CYP2A6
SCHEMBL22961934 0.78 AOC1 (0.43) SLC6A2SLC6A4AOC1AOC3CYP2A6
SCHEMBL12836473 0.78 SLC6A2 (0.54) SLC6A2SLC6A4AOC1AOC3CYP2A6
SCHEMBL16547439 0.78 SLC6A2 (0.54) SLC6A2SLC6A4AOC1AOC3CYP2A6
SCHEMBL5768459 0.78 SLC6A2 (0.51) SLC6A2SLC6A4AOC1AOC3CYP2A6
SCHEMBL31407214 0.78 SLC6A2 (0.49) SLC6A2SLC6A4AOC1AOC3CYP2A6
SCHEMBL13732150 0.77 ALDH1A1 (0.46) HTTCYP2C9
Hydrochloric Acid SCHEMBL31407242 0.76 SLC6A2 (0.50) SLC6A2SLC6A4AOC1AOC3CYP2A6

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020132597-A1 COMPOUNDS THAT PARTICIPATE IN COOPERATIVE BINDING AND USES THEREOF Revolution Medicines, Inc. (US) 2020-06-25 WO disclosed
US-8703776-B2 Agonists of GPR131 and uses thereof CYMABAY THERAPEUTICS, INC. (US) 2014-04-22 US disclosed
US-8703776-B2 Agonists of GPR131 and uses thereof CYMABAY THERAPEUTICS, INC. (US) 2014-04-22 US disclosed
US-8703776-B2 Agonists of GPR131 and uses thereof CYMABAY THERAPEUTICS, INC. (US) 2014-04-22 US disclosed
US-8470813-B2 Thiazoline and oxazoline derivatives and their methods of use ABBVIE INC. (US) 2013-06-25 US disclosed
US-20130059856-A1 AGONISTS OF GPR131 AND USES THEREOF METABOLEX, INC. 2013-03-07 US disclosed
US-20130059856-A1 AGONISTS OF GPR131 AND USES THEREOF METABOLEX, INC. 2013-03-07 US disclosed
US-20130059856-A1 AGONISTS OF GPR131 AND USES THEREOF METABOLEX, INC. 2013-03-07 US disclosed
WO-2012174164-A2 AGONISTS OF GPR131 AND USES THEREOF METABOLEX, INC. (US) 2012-12-20 WO disclosed
WO-2012174164-A2 AGONISTS OF GPR131 AND USES THEREOF METABOLEX, INC. (US) 2012-12-20 WO disclosed
US-20100222331-A1 NEW COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-09-02 US disclosed
US-20100190776-A1 Thiazoline and Oxazoline Derivatives and Their Methods of Use ABBOTT LABORATORIES (US) 2010-07-29 US disclosed
US-7727985-B2 Beta-carbolines useful for treating inflammatory disease MILLENNIUM PHARMACEUTICALS, INC. (US) 2010-06-01 US disclosed
US-7727985-B2 Beta-carbolines useful for treating inflammatory disease MILLENNIUM PHARMACEUTICALS, INC. (US) 2010-06-01 US disclosed
US-20100093713-A1 BETA-CARBOLINES USEFUL FOR TREATING INFLAMMATORY DISEASE MILLENNIUM PHARMACEUTICALS, INC. (US) 2010-04-15 US disclosed
US-20100093713-A1 BETA-CARBOLINES USEFUL FOR TREATING INFLAMMATORY DISEASE MILLENNIUM PHARMACEUTICALS, INC. (US) 2010-04-15 US disclosed
US-7683084-B2 Thiazoline and oxazoline derivatives and their methods of use ABBOTT LABORATORIES (US) 2010-03-23 US disclosed
EP-2038278-A2 THIAZOLINE AND OXAZOLINE DERIVATIVES AND THEIR METHODS OF USE Abbott Laboratories (US) 2009-03-25 EP disclosed
US-20080070929-A1 THIAZOLINE AND OXAZOLINE DERIVATIVES AND THEIR METHODS OF USE ABBVIE INC. 2008-03-20 US disclosed
WO-2008002956-A2 THIAZOLINE AND OXAZOLINE DERIVATIVES AND THEIR METHODS OF USE ABBOTT LABORATORIES (US) 2008-01-03 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-20130059856-A1 AGONISTS OF GPR131 AND USES THEREOF GPR119, GPR88, GPR27 SLC6A2 1002/4885SLC6A4 920/4885AOC1 3586/4885
US-20100093713-A1 BETA-CARBOLINES USEFUL FOR TREATING INFLAMMATORY DISEASE NFKBIA, NFKB2, IKBKG SLC6A2 4720/4885SLC6A4 4696/4885AOC1 4685/4885
US-20100222331-A1 NEW COMPOUNDS CCNA1, CCNY, MKI67 SLC6A2 2944/4885SLC6A4 3652/4885AOC1 3681/4885
US-20100190776-A1 Thiazoline and Oxazoline Derivatives and Their Methods of Use OXA1L, CYP3A7, ABAT SLC6A2 1549/4885SLC6A4 1015/4885AOC1 477/4885
US-20080070929-A1 THIAZOLINE AND OXAZOLINE DERIVATIVES AND THEIR METHODS OF USE OXA1L, CYP3A7, ABAT SLC6A2 1549/4885SLC6A4 1015/4885AOC1 477/4885

“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.