SCHEMBL3736844

SCHEMBL3736844

CN(C)C1CCN(c2nc(C(F)(F)F)c(C(=O)O)s2)C1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 2/20 0.41
HRH3 Q9Y5N1 2/20 0.41
PIK3CD O00329 1/20 0.38
PIK3CA P42336 1/20 0.38
PIK3CB P42338 1/20 0.38
CNR2 P34972 1/20 0.37
NR1H2 P55055 1/20 0.35
NR1H3 Q13133 1/20 0.35
USP28 Q96RU2 2/20 0.35
P2RX7 Q99572 2/20 0.35
MCHR1 Q99705 2/20 0.34
CHEK2 O96017 2/20 0.34

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 1.00 HRH4 (0.41) HRH4HRH3PIK3CDPIK3CAPIK3CB
SCHEMBL2145953 0.85 SMN1; SMN2 (0.41) PIK3CDPIK3CAPIK3CBCNR2
SCHEMBL27665211 0.80 CNR2 (0.42) PIK3CDPIK3CAPIK3CBCNR2NR1H2
SCHEMBL2548960 0.77 CNR2 (0.46) PIK3CDPIK3CAPIK3CBCNR2
SCHEMBL2145658 0.76 ALDH1A1 (0.45) PIK3CDPIK3CAPIK3CBCNR2
SCHEMBL2145802 0.75 MLYCD (0.52) CNR2
SCHEMBL2340680 0.74 PIK3CD (0.63) PIK3CDPIK3CAPIK3CBCNR2
SCHEMBL3755899 0.73 CTSL (0.41) HRH4HRH3NR1H2NR1H3USP28
SCHEMBL3282156 0.69 ABCC2 (0.53)
SCHEMBL12530126 0.68 MCHR1 (0.62) USP28MCHR1

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-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
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

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 HRH4 4/4885HRH3 58/4885PIK3CD 1690/4885
US-20100292236-A1 5-Membered Heterocyclic Amides And Related Compounds GPR35, HCAR2, HCAR1 HRH4 4/4885HRH3 58/4885PIK3CD 1690/4885

“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.