SCHEMBL14834060

SCHEMBL14834060

NC(=O)c1cnc(NCCC2CCN(C(=O)O)CC2)cn1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ JAK3 P52333 4/20 0.40
▸ JAK1 P23458 3/20 0.40
▸ GRIN2B Q13224 2/20 0.38
▸ MAOA P21397 1/20 0.38
▸ MAOB P27338 1/20 0.38
▸ OPRL1 P41146 1/20 0.37
▸ PCSK9 Q8NBP7 1/20 0.36
▸ GSK3B P49841 1/20 0.36
▸ NMT1 P30419 1/20 0.35
▸ JAK2 O60674 2/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ SIRT2 Q8IXJ6 2/20 0.34
▸ SIRT1 Q96EB6 2/20 0.34
▸ SIRT3 Q9NTG7 2/20 0.34
▸ TPSAB1 Q15661 2/20 0.33
▸ TPSD1 Q9BZJ3 1/20 0.33
▸ TPSG1 Q9NRR2 1/20 0.33
▸ SIRT6 Q8N6T7 1/20 0.33

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
SCHEMBL15051411 0.85 GPR119 (0.45) —
SCHEMBL14834283 0.82 MGLL (0.43) —
Hydrochloric Acid SCHEMBL14834108 0.81 CHEK1 (0.44) GSK3BSIRT6
SCHEMBL25229817 0.73 JAK3 (0.55) JAK3JAK1OPRL1JAK2
SCHEMBL14834334 0.72 MGLL (0.48) GRIN2BCYP3A4CYP2D6CYP2C9
SCHEMBL30969300 0.72 SIGMAR1 (0.52) NMT1SIRT6
SCHEMBL5037303 0.72 SIRT6 (0.46) PCSK9GSK3BJAK2CYP2D6SIRT6
SCHEMBL4052814 0.70 GRIN2B (0.46) JAK3GRIN2BCYP3A4CYP2D6CYP2C9
SCHEMBL4050033 0.70 TPH1 (0.53) GRIN2BCYP3A4CYP2D6CYP2C9
SCHEMBL4697764 0.68 TPSAB1 (0.37) TPSAB1TPSD1TPSG1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2576507-B1 HEXAFLUOROISOPROPYL CARBAMATE DERIVATIVES, THEIR PREPARATION AND THEIR THERAPEUTIC APPLICATION SANOFI SA (FR) 2017-04-05 — — EP disclosed
US-8835418-B2 Hexafluoroisopropyl carbamate derivatives, their preparation and their therapeutic application SANOFI (FR) 2014-09-16 — — US disclosed
US-20130165422-A1 HEXAFLUOROISOPROPYL CARBAMATE DERIVATIVES, THEIR PREPARATION AND THEIR THERAPEUTIC APPLICATION SANOFI (FR) 2013-06-27 — — US disclosed
EP-2576507-A1 HEXAFLUOROISOPROPYL CARBAMATE DERIVATIVES, THEIR PREPARATION AND THEIR THERAPEUTIC APPLICATION SANOFI (FR) 2013-04-10 — — EP disclosed
WO-2011151808-A1 HEXAFLUOROISOPROPYL CARBAMATE DERIVATIVES, THEIR PREPARATION AND THEIR THERAPEUTIC APPLICATION SANOFI (FR) 2011-12-08 — — 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-20130165422-A1 HEXAFLUOROISOPROPYL CARBAMATE DERIVATIVES, THEIR PREPARATION AND THEIR THERAPEUTIC APPLICATION F7, MGMT, CA13 JAK3 2192/4885JAK1 2207/4885GRIN2B 556/4885

“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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