SCHEMBL7126030

SCHEMBL7126030

CCc1cncc(C)c1C

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 1/20 0.39
NOS1 P29475 1/20 0.39
NOS2 P35228 1/20 0.39
AOC3 Q16853 1/20 0.30
CCR1 P32246 1/20 0.30
CCR5 P51681 1/20 0.30
CCR8 P51685 1/20 0.30

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
SCHEMBL20326527 0.87 NOS3 (0.38) NOS3NOS1NOS2AOC3
SCHEMBL24138048 0.82 ALDH1A1 (0.31) CCR1CCR5CCR8
SCHEMBL15417760 0.78 PDXK (0.39)
SCHEMBL7124851 0.78 NOS3 (0.38) NOS3NOS1NOS2
SCHEMBL16310627 0.76 LOXL2 (0.33) NOS3NOS1NOS2
SCHEMBL21120989 0.76 DAO (0.32) NOS3NOS1NOS2
SCHEMBL15109313 0.76 NOS3 (0.36) NOS3NOS1NOS2
SCHEMBL24297744 0.76 NOS3 (0.32) NOS3NOS1NOS2
SCHEMBL18125581 0.76 NOS3 (0.45) NOS3NOS1NOS2
SCHEMBL14493554 0.76 NOS3 (0.36) NOS3NOS1NOS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11785966-B2 Use of gamma-quaternary ammonium butyrate compound in preparation of an animal feed additive Anipha Technologies Pty Ltd (AU) 2023-10-17 US disclosed
EP-3692023-B1 BENZOTHIAZOL COMPOUNDS AND METHODS USING THE SAME FOR TREATING NEURODEGENERATIVE DISORDERS 1ST BIOTHERAPEUTICS INC (KR) 2023-05-17 EP disclosed
US-20230128713-A1 ORGANOMETALLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME, AND DIAGNOSTIC COMPOSITION INCLUDING THE ORGANOMETALLIC COMPOUND SAMSUNG ELECTRONICS CO LTD (KR) 2023-04-27 US disclosed
US-20220132889-A1 USE OF GAMMA-QUATERNARY AMMONIUM BUTYRATE COMPOUND IN PREPARATION OF AN ANIMAL FEED ADDITIVE PENG, Xianfeng (CN) 2022-05-05 US disclosed
US-20120196845-A1 QUINOLINONE-PYRAZOLONE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS MERCK SHARP & DOHME LLC 2012-08-02 US disclosed
US-20030064989-A1 Inhibitors of cell proliferation, angiogenesis, fertility, and muscle contraction REGENTS OF THE UNIVERSITY OF CALIFORNIA, THE 2003-04-03 US disclosed
US-5262420-A Phenylalkylpyridines IDEMITSU KOSAN CO., LTD. (JP) 1993-11-16 US 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 (3 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-20230128713-A1 ORGANOMETALLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME, AND DIAGNOSTIC COMPOSITION INCLUDING THE ORGANOMETALLIC COMPOUND ORC3, LEF1, OCIAD1 NOS3 2270/4885NOS1 862/4885NOS2 2140/4885
US-20030064989-A1 Inhibitors of cell proliferation, angiogenesis, fertility, and muscle contraction MYH10, MYLK, MKI67 NOS3 416/4885NOS1 1076/4885NOS2 1820/4885
US-20120196845-A1 QUINOLINONE-PYRAZOLONE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS CHRM1, OPRL1, CHRNA5 NOS3 2934/4885NOS1 1548/4885NOS2 3022/4885

“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.