SCHEMBL16332267

SCHEMBL16332267

CN1CCN(c2nccc3c2cc(-c2cccc(C(F)(F)F)c2)n3C)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FYN P06241 3/20 0.53
▸ MAPKAPK2 P49137 1/20 0.48
▸ HRH4 Q9H3N8 1/20 0.43
▸ CNR1 P21554 2/20 0.42
▸ CNR2 P34972 2/20 0.42
▸ CYP1A2 P05177 2/20 0.42
▸ CYP3A4 P08684 2/20 0.42
▸ CYP2D6 P10635 2/20 0.42
▸ TSHR P16473 2/20 0.42
▸ CYP2C19 P33261 2/20 0.42
▸ HTR3E A5X5Y0 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ HTR3B O95264 1/20 0.42
▸ TP53 P04637 1/20 0.42
▸ HTR1A P08908 1/20 0.42
▸ NFKB1 P19838 1/20 0.42
▸ HTR1D P28221 1/20 0.42
▸ HTR2C P28335 1/20 0.42
▸ THPO P40225 1/20 0.42
▸ HTR3A P46098 1/20 0.42

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
SCHEMBL16373540 0.90 ADRB1 (0.47) FYNHTR3EHTR3BHTR1DHTR2C
SCHEMBL16332703 0.81 CYP1A2 (0.57) MAPKAPK2HRH4CNR1CNR2CYP1A2
SCHEMBL16332706 0.72 CNR2 (0.47) FYNCNR1CNR2CYP1A2CYP3A4
SCHEMBL2384549 0.72 HRH4 (0.56) FYNMAPKAPK2HRH4MEN1KMT2A
SCHEMBL2401417 0.70 HRH4 (0.55) FYNHRH4CNR1CNR2TP53
SCHEMBL18613224 0.70 FYN (1.00) FYNMAPKAPK2CYP1A2CYP3A4CYP2D6
SCHEMBL7612867 0.69 ALDH1A1 (0.63) FYNMAPKAPK2CYP1A2CYP3A4CYP2D6
SCHEMBL4061028 0.68 HRH4 (0.67) MAPKAPK2HRH4CNR2CYP1A2TSHR
SCHEMBL2381815 0.67 HRH4 (0.56) FYNMAPKAPK2HRH4CYP1A2CYP2D6
SCHEMBL28570016 0.67 KMT2A (0.63) FYNCNR2KDM4EMEN1KMT2A

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-9458463-B2 Method for treatment of diabetes by a small molecule inhibitor for GRK5 MAX-PLANCK-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2016-10-04 — — US claimed
EP-2818472-A1 Imidazo[4,5-c]pyridine and pyrrolo[3,2-c]pyridine compounds as G-protein-coupled receptor kinase 5 (GRK5) modulators Max-Planck-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2014-12-31 — — EP claimed
US-9458463-B2 Method for treatment of diabetes by a small molecule inhibitor for GRK5 MAX-PLANCK-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2016-10-04 — — US disclosed
US-20150079108-A1 KINASES AS TARGETS FOR ANTI-DIABETIC THERAPY MAX-PLANCK-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2015-03-19 — — US disclosed
EP-2818472-A1 Imidazo[4,5-c]pyridine and pyrrolo[3,2-c]pyridine compounds as G-protein-coupled receptor kinase 5 (GRK5) modulators Max-Planck-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2014-12-31 — — 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 (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-20150079108-A1 KINASES AS TARGETS FOR ANTI-DIABETIC THERAPY GCKR, GRK4, GRK5 FYN 574/4885MAPKAPK2 32/4885HRH4 1939/4885

“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.

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