SCHEMBL3206733

SCHEMBL3206733

Cc1c2cccc(-c3cccc(C(=O)NCCC#N)c3)c2nn1Cc1cccc(C(F)(F)F)c1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GPR52 Q9Y2T5 11/20 0.56
LMNA P02545 1/20 0.42
ALOX15 P16050 1/20 0.42
MAPK1 P28482 1/20 0.42
PTGER4 P35408 2/20 0.42
CHRM3 P20309 1/20 0.41
ALDH1A1 P00352 1/20 0.41
POLB P06746 1/20 0.41
DDR2 Q16832 1/20 0.41
PPARG P37231 1/20 0.41
CTSL P07711 1/20 0.41
P2RY14 Q15391 1/20 0.41

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
SCHEMBL1849429 0.97 GPR52 (0.53) GPR52LMNAALOX15MAPK1PTGER4
SCHEMBL1850028 0.90 GPR52 (0.68) GPR52LMNAALOX15MAPK1PTGER4
SCHEMBL1849430 0.84 GPR52 (0.42) GPR52PTGER4POLBDDR2P2RY14
SCHEMBL1852273 0.84 GPR52 (0.49) GPR52PTGER4POLBPPARGP2RY14
SCHEMBL1850688 0.82 GPR52 (0.81) GPR52CHRM3ALDH1A1POLB
SCHEMBL1849663 0.81 MAPT (0.48) GPR52PTGER4ALDH1A1POLBP2RY14
SCHEMBL3206470 0.81 GPR52 (0.81) GPR52PTGER4CHRM3ALDH1A1POLB
SCHEMBL3204302 0.80 GPR52 (0.51) GPR52CHRM3ALDH1A1POLBDDR2
SCHEMBL1854858 0.79 MAPT (0.46) GPR52LMNAPTGER4ALDH1A1POLB
SCHEMBL3198028 0.78 GPR52 (0.53) GPR52ALDH1A1POLB

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-20100041891-A1 AMIDE COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-02-18 US disclosed
US-20100041891-A1 AMIDE COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-02-18 US disclosed
US-20100041891-A1 AMIDE COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-02-18 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-20100041891-A1 AMIDE COMPOUND GPR52, GPR132, NR5A2 GPR52 1/4885LMNA 3837/4885ALOX15 1624/4885

“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.