SCHEMBL7293153

SCHEMBL7293153

Cc1ccc2c(c1)c(C#N)cn2C

nearest known ligand 0.61

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
IMPDH2 P12268 9/20 0.61
SLC6A4 P31645 1/20 0.46
XDH P47989 1/20 0.43
MAOA P21397 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
LMNA P02545 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TDP1 Q9NUW8 1/20 0.39

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
SCHEMBL10084840 0.87 IMPDH2 (0.50) IMPDH2SLC6A4XDHMAOA
SCHEMBL15298774 0.86 IMPDH2 (0.62) IMPDH2MAOAL3MBTL1LMNAHTT
SCHEMBL7273946 0.81 IMPDH2 (0.59) IMPDH2SLC6A4XDHL3MBTL1
SCHEMBL2417482 0.81 IMPDH2 (0.59) IMPDH2SLC6A4XDHSMN1; SMN2
SCHEMBL16455429 0.81 IMPDH2 (0.59) IMPDH2SLC6A4XDHLMNASMN1; SMN2
SCHEMBL13385265 0.81 IMPDH2 (0.59) IMPDH2SLC6A4XDH
SCHEMBL22450677 0.81 IMPDH2 (0.59) IMPDH2SLC6A4XDHHTTSMN1; SMN2
SCHEMBL1777994 0.78 IMPDH2 (0.56) IMPDH2SLC6A4MAOAL3MBTL1HTT
SCHEMBL16743115 0.78 IMPDH2 (0.56) IMPDH2SLC6A4XDHSMN1; SMN2
SCHEMBL9919097 0.78 IMPDH2 (0.48) IMPDH2TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11273168-B2 Methods of treating anxiety by administering a substituted quinolone OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2022-03-15 US disclosed
EP-2616460-B1 HETEROCYCLIC COMPOUNDS FOR TREATING OR PREVENTING DISORDERS CAUSED BY REDUCED NEUROTRANSMISSION OF SEROTONIN, NOREPHNEPHRINE OR DOPAMINE. OTSUKA PHARMA CO LTD (JP) 2015-10-28 EP disclosed
US-9090572-B2 Substituted quinoxalines compounds OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2015-07-28 US disclosed
US-9090572-B2 Substituted quinoxalines compounds OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2015-07-28 US disclosed
CN-104788359-A Synthesis method of copper-promoted 3-cyano-substituted-indole compound UNIV HUNAN 2015-07-22 CN disclosed
US-9040530-B2 1,2,4-triazine-6-carboxamide kinase inhibitors PORTOLA PHARMACEUTICALS, INC. (US) 2015-05-26 US disclosed
US-20130261081-A1 HETEROCYCLIC COMPOUNDS FOR TREATING OR PREVENTING DISORDERS CAUSED BY REDUCED NEUROTRANSMISSION OF SEROTONIN, NOREPHNEPHRINE OR DOPAMINE OTSUKA PHARMACEUTICAL CO., LTD (JP) 2013-10-03 US disclosed
EP-0337547-B1 Spirocyclic compounds incorporating five-membered rings with two heteroatoms MERCK SHARP & DOHME (GB) 1994-03-02 EP disclosed
US-4940703-A Spirocyclic compounds incorporating five-membered rings with two heteroatoms for treating psychotic disorders, etc. MERCK SHARP & DOHME LIMITED (GB) 1990-07-10 US disclosed
EP-0337547-A1 Spirocyclic compounds incorporating five-membered rings with two heteroatoms MERCK SHARP & DOHME LTD. (GB) 1989-10-18 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 (2 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-11273168-B2 Methods of treating anxiety by administering a substituted quinolone CRH, MC2R, HTR3C IMPDH2 3757/4885SLC6A4 115/4885XDH 80/4885
US-20130261081-A1 HETEROCYCLIC COMPOUNDS FOR TREATING OR PREVENTING DISORDERS CAUSED BY REDUCED NEUROTRANSMISSION OF SEROTONIN, NOREPHNEPHRINE OR DOPAMINE MC2R, SLC6A2, CRH IMPDH2 3520/4885SLC6A4 95/4885XDH 258/4885

“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.