SCHEMBL1708229

SCHEMBL1708229

Cc1c(C=O)cccc1-n1c([C@H]2CCCO2)nc2cc(C(F)(F)F)ccc21

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DHFR P00374 1/20 0.39
USP2 O75604 2/20 0.38
PKM P14618 1/20 0.38
LMNA P02545 3/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
PIK3CA P42336 1/20 0.35
PIK3CB P42338 1/20 0.35
PIK3CG P48736 1/20 0.35
HTR2B P41595 1/20 0.34
HTR6 P50406 1/20 0.34
GPR142 Q7Z601 1/20 0.33
HTT P42858 1/20 0.33
ALDH1A1 P00352 1/20 0.33
EGFR P00533 5/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
CACNA1D Q01668 1/20 0.32
PIK3R2 O00459 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
SCHEMBL1708114 0.88 DHFR (0.41) DHFRLMNASMN1; SMN2PIK3CAPIK3CB
SCHEMBL1708670 0.87 CYP2D6 (0.40) DHFR
SCHEMBL1708252 0.86 DHFR (0.41) DHFRUSP2SMN1; SMN2PIK3CAPIK3CB
SCHEMBL1707938 0.84 DHFR (0.39) DHFRUSP2PKMSMN1; SMN2PIK3CA
SCHEMBL1707983 0.83 CFTR (0.41) DHFRUSP2PKMSMN1; SMN2HTT
SCHEMBL1708131 0.75 FFAR1 (0.38) USP2PKMLMNASMN1; SMN2
SCHEMBL3794485 0.74 DHFR (0.33) DHFRUSP2PKMPIK3CAPIK3CB
SCHEMBL10291346 0.74 LMNA (0.39) USP2PKMLMNASMN1; SMN2
SCHEMBL1708368 0.73 LMNA (0.33) USP2PKMLMNASMN1; SMN2PIK3CA
SCHEMBL1708130 0.72 CYP2D6 (0.42) DHFRALDH1A1

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-20120172351-A1 NOVEL FUSED CYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-07-05 US disclosed
EP-2440541-A1 NOVEL FUSED CYCLIC COMPOUND AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2012-04-18 EP disclosed
WO-2010143733-A1 NOVEL FUSED CYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-12-16 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 (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-20120172351-A1 NOVEL FUSED CYCLIC COMPOUND AND USE THEREOF GPR119, INSR, GLP1R DHFR 4540/4885USP2 4493/4885PKM 4189/4885

“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.