SCHEMBL20695263

SCHEMBL20695263

O=C1CCC2(CN(C(=O)c3ccc(-c4ccc(C(F)(F)F)cc4Cl)cc3)C2)N1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ FASN P49327 4/20 0.43
▸ KDM1A O60341 1/20 0.40
▸ MRGPRX4 Q96LA9 1/20 0.40
▸ MGLL Q99685 4/20 0.38
▸ KCNH2 Q12809 3/20 0.38
▸ MEN1 O00255 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ GPR183 P32249 1/20 0.36
▸ ABL1 P00519 1/20 0.36
▸ BCR P11274 1/20 0.36
▸ ACACA Q13085 1/20 0.35
▸ SLC6A7 Q99884 1/20 0.35
▸ EPHX1 P07099 1/20 0.35
▸ EPHX2 P34913 1/20 0.35

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
SCHEMBL20695401 0.89 KDM1A (0.45) KDM1AKCNH2MEN1HPGDTSHR
SCHEMBL20695408 0.89 APP (0.43) FASNKDM1AMGLLKCNH2MEN1
SCHEMBL20695365 0.86 FASN (0.44) FASNMGLLGPR183ABL1BCR
SCHEMBL20695169 0.86 MEN1 (0.47) KDM1AMGLLKCNH2MEN1HPGD
SCHEMBL20695459 0.85 FASN (0.43) FASNKDM1AMGLLMEN1KMT2A
SCHEMBL20695191 0.83 RXRA (0.46) MGLLMEN1HPGDTSHRKMT2A
SCHEMBL20695139 0.82 FASN (0.40) FASNMGLLHPGD
SCHEMBL20695363 0.82 FASN (0.60) FASNMGLLMEN1HPGDTSHR
SCHEMBL20695328 0.82 ABL1 (0.41) FASNMGLLGPR183ABL1BCR
SCHEMBL20695131 0.82 ABL1 (0.48) MGLLGPR183ABL1BCREPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10610520-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2020-04-07 — — US disclosed
US-20190125728-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2019-05-02 — — US disclosed
US-20190125728-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2019-05-02 — — US disclosed
EP-3438109-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2019-02-06 — — 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 (2 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-20190125728-A1 HETEROCYCLIC COMPOUND MAG, HTT, ACHE FASN 3889/4885KDM1A 2299/4885MRGPRX4 518/4885
US-10610520-B2 Heterocyclic compound MAG, HTT, ACHE FASN 3889/4885KDM1A 2299/4885MRGPRX4 518/4885

“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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