SCHEMBL806273

SCHEMBL806273

Cc1ccc(F)c2nn(C)cc12

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 1/20 0.34
KCNH2 Q12809 2/20 0.31
CHRM1 P11229 2/20 0.31
MAT2A P31153 2/20 0.31
SLC6A2 P23975 1/20 0.31
HTT P42858 1/20 0.31
RXFP1 Q9HBX9 1/20 0.31
ADORA3 P0DMS8 1/20 0.30
ADORA2A P29274 1/20 0.30
ADORA1 P30542 1/20 0.30
CYP1A2 P05177 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
SCHEMBL14012072 0.85 CHRM1 (0.35) TGFBR1KCNH2CHRM1MAT2ARXFP1
SCHEMBL26926825 0.79 SMN1; SMN2 (0.32)
SCHEMBL17396193 0.79 ADORA2A (0.38) ADORA3ADORA2AADORA1
SCHEMBL16060110 0.78 ATM (0.33) SLC6A2HTTADORA3ADORA2AADORA1
SCHEMBL29304915 0.78 MAT2A (0.36) MAT2AADORA3ADORA2ACYP1A2
SCHEMBL29304879 0.77 HTT (0.50) KCNH2SLC6A2HTT
SCHEMBL29303102 0.77 KCNH2 (0.31) KCNH2
SCHEMBL27229468 0.77 HRH4 (0.32)
SCHEMBL27802048 0.77 ALDH1A1 (0.36) ADORA3ADORA2AADORA1
SCHEMBL27780628 0.75 DRD4 (0.31) TGFBR1CHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240228489-A1 POSITIVE ALLOSTERIC MODULATORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M1 VANDERBILT UNIVERSITY 2024-07-11 US disclosed
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
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
WO-2013137479-A1 DECAHYDROQUINOXALINE DERIVATIVES AND ANALOGS THEREOF OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-09-19 WO disclosed
WO-2012036253-A1 HETEROCYCLIC COMPOUNDS FOR TREATING OR PREVENTING DISORDERS CAUSED BY REDUCED NEUROTRANSMISSION OF SEROTONIN, NOREPHNEPHRINE OR DOPAMINE. OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-03-22 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 (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-11273168-B2 Methods of treating anxiety by administering a substituted quinolone CRH, MC2R, HTR3C TGFBR1 4216/4885KCNH2 495/4885CHRM1 31/4885
US-20240228489-A1 POSITIVE ALLOSTERIC MODULATORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M1 CHRM1, CHRM3, CHRM2 TGFBR1 1726/4885KCNH2 426/4885CHRM1 1/4885
US-20130261081-A1 HETEROCYCLIC COMPOUNDS FOR TREATING OR PREVENTING DISORDERS CAUSED BY REDUCED NEUROTRANSMISSION OF SEROTONIN, NOREPHNEPHRINE OR DOPAMINE MC2R, SLC6A2, CRH TGFBR1 2496/4885KCNH2 506/4885CHRM1 4/4885

“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.