SCHEMBL3755899

SCHEMBL3755899

CC(C)CC(CNC(=O)c1sc(N2CC[C@@H](N(C)C)C2)nc1C(F)(F)F)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSL P07711 2/20 0.41
CTSB P07858 2/20 0.41
CTSS P25774 2/20 0.41
CTSK P43235 1/20 0.41
USP28 Q96RU2 2/20 0.37
TRPV1 Q8NER1 2/20 0.36
P2RX7 Q99572 4/20 0.36
NR1H2 P55055 2/20 0.35
NR1H3 Q13133 2/20 0.35
HRH4 Q9H3N8 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35
MCHR1 Q99705 1/20 0.34
FPR1 P21462 1/20 0.34
FPR2 P25090 1/20 0.34
PPARG P37231 1/20 0.33
PPARD Q03181 1/20 0.33
PPARA Q07869 1/20 0.33
CSF1R P07333 1/20 0.33
CHRM4 P08173 1/20 0.33
PDE2A O00408 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
SCHEMBL3736842 0.73 HRH4 (0.41) USP28P2RX7NR1H2NR1H3HRH4
SCHEMBL3736844 0.73 HRH4 (0.41) USP28P2RX7NR1H2NR1H3HRH4
SCHEMBL3754084 0.71 MEN1 (0.52) P2RX7PPARGPPARDPPARA
SCHEMBL13043139 0.69 P2RX7 (0.45) CTSLCTSBCTSSUSP28P2RX7
SCHEMBL3741852 0.67 NPC1 (0.48) P2RX7PPARGPPARDPPARACHRM4
SCHEMBL13043131 0.67 P2RX7 (0.64) CTSLCTSBCTSSCTSKP2RX7
SCHEMBL3749004 0.66 P2RX7 (0.44) P2RX7PPARGPPARAPDE2A
SCHEMBL3751376 0.65 P2RX7 (0.50) CTSLCTSSCTSKP2RX7PPARG
SCHEMBL13043142 0.65 MEN1 (0.64) PPARGPPARDPPARA
SCHEMBL3740506 0.64 P2RX7 (0.51) P2RX7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9133204-B2 5-membered heterocyclic amides and related compounds H. LUNDBECK A/S (DK) 2015-09-15 US disclosed
US-9133204-B2 5-membered heterocyclic amides and related compounds H. LUNDBECK A/S (DK) 2015-09-15 US disclosed
US-9133204-B2 5-membered heterocyclic amides and related compounds H. LUNDBECK A/S (DK) 2015-09-15 US disclosed
EP-2178865-B1 5-MEMBERED HETEROCYCLIC AMIDES AND RELATED COMPOUNDS LUNDBECK H AS (DK) 2015-08-19 EP disclosed
EP-2178865-B1 5-MEMBERED HETEROCYCLIC AMIDES AND RELATED COMPOUNDS LUNDBECK H AS (DK) 2015-08-19 EP disclosed
US-20150005293-A1 5-Membered Heterocyclic Amides And Related Compounds MINDIMMUNE THERAPEUTICS, INC. 2015-01-01 US disclosed
US-20150005293-A1 5-Membered Heterocyclic Amides And Related Compounds MINDIMMUNE THERAPEUTICS, INC. 2015-01-01 US disclosed
US-20150005293-A1 5-Membered Heterocyclic Amides And Related Compounds MINDIMMUNE THERAPEUTICS, INC. 2015-01-01 US disclosed
US-20100292236-A1 5-Membered Heterocyclic Amides And Related Compounds H. LUNDBECK A/S (DK) 2010-11-18 US disclosed
US-20100292236-A1 5-Membered Heterocyclic Amides And Related Compounds H. LUNDBECK A/S (DK) 2010-11-18 US disclosed
US-20100292236-A1 5-Membered Heterocyclic Amides And Related Compounds H. LUNDBECK A/S (DK) 2010-11-18 US disclosed
WO-2009012482-A2 5-MEMBERED HETEROCYCLIC AMIDES AND RELATED COMPOUNDS H.LUNDBECK A/S (DK) 2009-01-22 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 (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-20150005293-A1 5-Membered Heterocyclic Amides And Related Compounds GPR35, HCAR2, HCAR1 CTSL 2486/4885CTSB 1186/4885CTSS 930/4885
US-20100292236-A1 5-Membered Heterocyclic Amides And Related Compounds GPR35, HCAR2, HCAR1 CTSL 2486/4885CTSB 1186/4885CTSS 930/4885

“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.