SCHEMBL2387803

SCHEMBL2387803

CN(C)C=Nn1cc(-c2ccc(Cl)cn2)cc1C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 4/20 0.38
▸ NPC1 O15118 3/20 0.38
▸ HPGD P15428 3/20 0.38
▸ RAB9A P51151 3/20 0.38
▸ HSD17B10 Q99714 3/20 0.38
▸ MAPT P10636 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ KDM4E B2RXH2 4/20 0.35
▸ ALDH1A1 P00352 3/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ CNR2 P34972 1/20 0.33
▸ SCD5 Q86SK9 2/20 0.32
▸ SCD O00767 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ TP53 P04637 1/20 0.32
▸ GRIA2 P42262 1/20 0.32
▸ MEN1 O00255 3/20 0.32
▸ KMT2A Q03164 3/20 0.32
▸ POLB P06746 2/20 0.32
▸ CYP2C9 P11712 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
SCHEMBL2387798 1.00 SMN1; SMN2 (0.38) SMN1; SMN2NPC1HPGDRAB9AHSD17B10
SCHEMBL2186745 0.85 SMN1; SMN2 (0.37) SMN1; SMN2NPC1HPGDRAB9AHSD17B10
SCHEMBL2186196 0.83 SMN1; SMN2 (0.39) SMN1; SMN2NPC1HPGDRAB9AHSD17B10
SCHEMBL2188168 0.69 MCL1 (0.33) KDM4E
SCHEMBL2188162 0.69 MCL1 (0.33) KDM4E
SCHEMBL2184522 0.69 SMN1; SMN2 (0.40) SMN1; SMN2NPC1HPGDRAB9AHSD17B10
SCHEMBL2176432 0.69 SMN1; SMN2 (0.44) SMN1; SMN2NPC1HPGDRAB9AHSD17B10
SCHEMBL2176430 0.69 SMN1; SMN2 (0.44) SMN1; SMN2NPC1HPGDRAB9AHSD17B10
SCHEMBL2184518 0.69 SMN1; SMN2 (0.40) SMN1; SMN2NPC1HPGDRAB9AHSD17B10
SCHEMBL2949623 0.63 LDHA (0.61) SMN1; SMN2NPC1RAB9AKDM4ECNR2

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-2346872-B1 AZOLOTRIAZINONE MELANIN CONCENTRATING HORMONE RECEPTOR-1 ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2015-11-25 — — EP disclosed
US-8754211-B2 Azolotriazinone melanin concentrating hormone receptor-1 antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2014-06-17 — — US disclosed
US-20140031337-A1 AZOLOTRIAZINONE MELANIN CONCENTRATING HORMONE RECEPTOR-1 ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2014-01-30 — — US disclosed
US-8580959-B2 Azolotriazinone melanin concentrating hormone receptor-1 antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2013-11-12 — — US disclosed
US-20110218185-A1 AZOLOTRIAZINONE MELANIN CONCENTRATING HORMONE RECEPTOR-1 ANTAGONISTS SYNGENE INTERNATIONAL LIMITED (IN) 2011-09-08 — — 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-20140031337-A1 AZOLOTRIAZINONE MELANIN CONCENTRATING HORMONE RECEPTOR-1 ANTAGONISTS MCHR1, MCHR2, MC1R SMN1; SMN2 4324/4885NPC1 671/4885HPGD 1235/4885
US-20110218185-A1 AZOLOTRIAZINONE MELANIN CONCENTRATING HORMONE RECEPTOR-1 ANTAGONISTS MCHR1, MCHR2, MC1R SMN1; SMN2 4324/4885NPC1 671/4885HPGD 1235/4885

“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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