SCHEMBL3222847

SCHEMBL3222847

CC(c1ccc(CCNC(=O)O)cc1)N1CC[C@H](F)C1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.40
POLB P06746 2/20 0.40
TSHR P16473 2/20 0.40
GAA P10253 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
KDM4E B2RXH2 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
BCL9 O00512 1/20 0.39
CTNNB1 P35222 1/20 0.39
LMNA P02545 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HPGD P15428 2/20 0.39
NPC1 O15118 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
RAB9A P51151 1/20 0.39
HTT P42858 1/20 0.39
CHRM4 P08173 1/20 0.38
MAPT P10636 1/20 0.38
DUSP3 P51452 1/20 0.38

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
SCHEMBL6705763 0.82 OPRM1 (0.46) ALDH1A1POLBTSHRGAASMN1; SMN2
Trifluoroacetic Acid SCHEMBL2314046 0.79 DPP4 (0.47) KCNH2
SCHEMBL2315195 0.77 UBE2M (0.37) HTTMEN1KMT2AL3MBTL1
SCHEMBL16581996 0.76 MC4R (0.50) ALDH1A1KDM4ETDP1SMN1; SMN2CYP2D6
SCHEMBL12432020 0.74 MCHR1 (0.38) NPSR1KDM4ELMNACYP2D6CHRM4
SCHEMBL2312316 0.72 EPHX1 (0.49) ALDH1A1POLBTSHRGAAKDM4E
SCHEMBL5914401 0.70 EPHX1 (0.48) ALDH1A1POLBTSHRGAAKDM4E
SCHEMBL27458578 0.68 HTR2A (0.55) ALDH1A1KDM4ELMNAHTTMAPT
SCHEMBL23928246 0.68 KDM4E (0.50) ALDH1A1KDM4ELMNAHTT
SCHEMBL23928225 0.68 ALDH1A1 (0.54) ALDH1A1TSHRNPSR1KDM4ETDP1

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
EP-1876179-B1 Thienopyrimidone compounds TAKEDA PHARMACEUTICAL (JP) 2015-03-25 EP disclosed
US-20100069362-A1 Thienopyrimidone compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-03-18 US disclosed
EP-1876179-A1 THIENOPYRIMIDONE COMPOUND Takeda Pharmaceutical Company Limited (JP) 2008-01-09 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-20100069362-A1 Thienopyrimidone compound MC1R, MC2R, MC5R ALDH1A1 831/4885POLB 4181/4885TSHR 9/4885

“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.