SCHEMBL17491552

SCHEMBL17491552

CC(=O)NC1CCN(c2cc(C(F)(F)F)cc(-c3cnco3)n2)C1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ SYK P43405 2/20 0.47
▸ MCHR1 Q99705 1/20 0.44
▸ SMPD3 Q9NY59 3/20 0.43
▸ CNR1 P21554 1/20 0.42
▸ ITGB2 P05107 4/20 0.42
▸ ICAM1 P05362 4/20 0.42
▸ ITGAL P20701 4/20 0.42
▸ EIF2AK4 Q9P2K8 1/20 0.41
▸ CA12 O43570 2/20 0.40
▸ CA1 P00915 2/20 0.40
▸ CA2 P00918 2/20 0.40
▸ CA4 P22748 2/20 0.40
▸ CA7 P43166 2/20 0.40
▸ CA9 Q16790 2/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ RHOA P61586 1/20 0.39
▸ TRPV1 Q8NER1 2/20 0.38
▸ TRPM8 Q7Z2W7 1/20 0.38
▸ PDE2A O00408 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
SCHEMBL17491391 0.85 SMO (0.46) CA12CA1CA2CA4CA7
SCHEMBL17491460 0.82 SMPD3 (0.44) SYKMCHR1SMPD3CNR1ITGB2
SCHEMBL17491531 0.82 METAP2 (0.44) ITGB2ICAM1ITGALRHOA
SCHEMBL17491500 0.81 PRKD1 (0.39) ITGB2ICAM1ITGALKMT2ARHOA
SCHEMBL17491454 0.79 MAP3K12 (0.37) RHOAPDE2A
SCHEMBL17491528 0.78 AKT1 (0.38) RHOA
SCHEMBL17491511 0.75 RHOA (0.33) SMPD3CNR1RHOA
SCHEMBL29689559 0.72 ACACB (0.49) SYKMCHR1SMPD3CNR1EIF2AK4
SCHEMBL6576549 0.72 KMT2A (0.68) SYKCA12CA1CA2CA4
SCHEMBL6864670 0.72 KMT2A (0.68) SYKCA12CA1CA2CA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2982670-B1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2018-11-07 — — EP disclosed
US-9624184-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-04-18 — — US disclosed
US-9624184-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-04-18 — — US disclosed
US-9624184-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-04-18 — — US disclosed
US-20160052897-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-02-25 — — US disclosed
EP-2982670-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2016-02-10 — — 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-20160052897-A1 HETEROCYCLIC COMPOUND PSEN1, PSEN2, BACE1 SYK 4807/4885MCHR1 2123/4885SMPD3 1714/4885

“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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