SCHEMBL720899

SCHEMBL720899

CCc1cnc(OC2CCC(Oc3c(F)cc(Br)cc3F)CC2)nc1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RXRA P19793 12/20 0.38
GRIN1 Q05586 12/20 0.38
GRIN2B Q13224 12/20 0.38
ACACB O00763 3/20 0.37
MAPK1 P28482 1/20 0.34
HTT P42858 1/20 0.34
KMT2A Q03164 2/20 0.33
MAPT P10636 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
HCRTR1 O43613 1/20 0.32
HCRTR2 O43614 1/20 0.32

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
SCHEMBL720225 0.77 GPR119 (0.44) ACACB
SCHEMBL10052757 0.75 ALDH1A1 (0.35) RXRAGRIN1GRIN2BACACBHCRTR1
SCHEMBL717550 0.74 SMYD3 (0.36) RXRAGRIN1GRIN2BACACBHCRTR1
SCHEMBL719387 0.74 PDE10A (0.35) RXRAGRIN1GRIN2BACACBHCRTR1
SCHEMBL720181 0.73 PDE10A (0.37) RXRAGRIN1GRIN2BACACBHCRTR1
SCHEMBL930098 0.72 HTR1A (0.36) ACACBMAPK1HTTKMT2AMAPT
SCHEMBL15905112 0.71 KMT2A (0.46) MAPK1HTTKMT2AMAPTNPSR1
SCHEMBL942192 0.71 HRH1 (0.40)
SCHEMBL10052758 0.71 ACACB (0.31) RXRAGRIN1GRIN2BACACB
SCHEMBL717505 0.71 ACACB (0.33) RXRAGRIN1GRIN2BACACBMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120053180-A1 CYCLOHEXANE ANALOGUES AS GPR119 AGONISTS CHEMIZON, A DIVISION OF OPTOMAGIC CO., LTD. (KR) 2012-03-01 US disclosed
US-20120053180-A1 CYCLOHEXANE ANALOGUES AS GPR119 AGONISTS CHEMIZON, A DIVISION OF OPTOMAGIC CO., LTD. (KR) 2012-03-01 US disclosed
US-20120053180-A1 CYCLOHEXANE ANALOGUES AS GPR119 AGONISTS CHEMIZON, A DIVISION OF OPTOMAGIC CO., LTD. (KR) 2012-03-01 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-20120053180-A1 CYCLOHEXANE ANALOGUES AS GPR119 AGONISTS GPR119, GLP1R, GIPR RXRA 1623/4885GRIN1 1031/4885GRIN2B 875/4885

“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.