SCHEMBL3744593

SCHEMBL3744593

CCc1nc(-c2ncccn2)sc1C(=O)NCC(CC(C)C)c1ccc(C)cc1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 5/20 0.42
MAPT P10636 5/20 0.36
TP53 P04637 4/20 0.36
LMNA P02545 3/20 0.36
PTGFR P43088 3/20 0.34
GRM4 Q14833 1/20 0.34
NPC1 O15118 3/20 0.34
HPGD P15428 2/20 0.34
GAA P10253 1/20 0.34
OPRM1 P35372 1/20 0.33
OPRD1 P41143 1/20 0.33
OPRL1 P41146 1/20 0.33
POLB P06746 2/20 0.33
RAB9A P51151 2/20 0.33
THRB P10828 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL3743335 0.92 P2RX7 (0.41) P2RX7MAPTTP53LMNANPC1
SCHEMBL3749704 0.91 P2RX7 (0.47) P2RX7MAPTTP53LMNAPTGFR
SCHEMBL3749004 0.89 P2RX7 (0.44) P2RX7MAPTNPC1GAA
SCHEMBL3743404 0.87 P2RX7 (0.45) P2RX7MAPTTP53LMNANPC1
SCHEMBL3751882 0.87 P2RX7 (0.43) P2RX7MAPTTP53LMNANPC1
SCHEMBL3740547 0.85 P2RX7 (0.42) P2RX7
SCHEMBL3753619 0.81 P2RX7 (0.48) P2RX7MAPTPTGFRGAAOPRM1
SCHEMBL3741852 0.79 NPC1 (0.48) P2RX7MAPTNPC1GAA
SCHEMBL13043131 0.77 P2RX7 (0.64) P2RX7MAPTPTGFRSMN1; SMN2
SCHEMBL3748391 0.75 P2RX7 (0.45) 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 11 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

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 P2RX7 268/4885MAPT 4086/4885TP53 2829/4885
US-20100292236-A1 5-Membered Heterocyclic Amides And Related Compounds GPR35, HCAR2, HCAR1 P2RX7 268/4885MAPT 4086/4885TP53 2829/4885

“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.