SCHEMBL8928219

SCHEMBL8928219

COc1cccc(CCCC#N)c1

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 2/20 0.58
CHRM1 P11229 2/20 0.58
CHRM3 P20309 2/20 0.58
TAAR1 Q96RJ0 3/20 0.57
MTNR1A P48039 2/20 0.52
MTNR1B P49286 2/20 0.52
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
SIGMAR1 Q99720 2/20 0.51
AOC3 Q16853 1/20 0.51
HDAC1 Q13547 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
HRH3 Q9Y5N1 1/20 0.49
IDO1 P14902 1/20 0.49
AGXT P21549 1/20 0.49

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
SCHEMBL1233549 0.90 MEN1 (0.66) CHRM2CHRM1CHRM3TAAR1MTNR1A
SCHEMBL21002016 0.84 TAAR1 (0.71) CHRM2CHRM1CHRM3TAAR1MTNR1A
SCHEMBL21002162 0.84 TAAR1 (0.71) CHRM2CHRM1CHRM3TAAR1MTNR1A
SCHEMBL29986862 0.84 TAAR1 (0.71) CHRM2CHRM1CHRM3TAAR1MTNR1A
SCHEMBL10636948 0.83 CHRM2 (0.58) CHRM2CHRM1CHRM3TAAR1MTNR1A
SCHEMBL8354908 0.83 CHRM2 (0.62) CHRM2CHRM1CHRM3TAAR1MTNR1A
SCHEMBL2178068 0.83 CHRM2 (0.54) CHRM2CHRM1CHRM3TAAR1MTNR1A
SCHEMBL226849 0.82 PTGS2 (0.46) CHRM2CHRM1CHRM3
SCHEMBL21002124 0.82 TAAR1 (0.69) CHRM2CHRM1CHRM3TAAR1MTNR1A
SCHEMBL27339567 0.81 CHRM2 (0.55) CHRM2CHRM1CHRM3TAAR1MTNR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230047816-A1 PFKFB3 INHIBITORS AND THEIR USES GERO PTE. LTD. (SG) 2023-02-16 US disclosed
US-5661185-A AN ALKOXYPHENYL-ALKYLUREA COMPOUND TREATING SLEEP DISORDER BRISTOL-MYERS SQUIBB CO. (US) 1997-08-26 US disclosed
US-5541228-A Melatonergic agents BRISTOL-MYERS SQUIBB CO. (US) 1996-07-30 US disclosed
EP-0706994-A1 Melatonergic agents BRISTOL-MYERS SQUIBB COMPANY (US) 1996-04-17 EP disclosed
US-4618683-A Tetrahydro-6,7-dimethoxy-1H-benz[e]isoinodolines useful in the treatment of hypertension and as sedatives ABBOTT LABORATORIES (US) 1986-10-21 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 (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-20230047816-A1 PFKFB3 INHIBITORS AND THEIR USES PFKFB3, PFKFB4, PFKFB1 CHRM2 4790/4885CHRM1 4866/4885CHRM3 4488/4885

“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.