SCHEMBL31511

SCHEMBL31511

Cc1nc2cc(C(=O)N3CCCCC3)ccn2c1-c1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ AKT1 P31749 4/20 0.60
▸ AKT2 P31751 4/20 0.60
▸ F2RL1 P55085 1/20 0.55
▸ HPGD P15428 11/20 0.51
▸ CNR1 P21554 1/20 0.48
▸ NPC1 O15118 3/20 0.47
▸ RAB9A P51151 3/20 0.47
▸ MEN1 O00255 2/20 0.47
▸ ALDH1A1 P00352 2/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ MAPK1 P28482 2/20 0.47
▸ PADI4 Q9UM07 1/20 0.47
▸ TSHR P16473 1/20 0.44
▸ GBA1 P04062 1/20 0.44

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
SCHEMBL15071100 0.82 F2RL1 (0.77) AKT1AKT2F2RL1HPGDCNR1
SCHEMBL15071143 0.81 F2RL1 (0.74) AKT1AKT2F2RL1HPGDCNR1
SCHEMBL361257 0.75 AKT2 (1.00) AKT1AKT2
SCHEMBL15071102 0.75 CNR1 (0.49) AKT1AKT2F2RL1HPGDCNR1
SCHEMBL31560 0.74 F2RL1 (0.63) F2RL1HPGDNPC1RAB9AMEN1
SCHEMBL15071152 0.74 F2RL1 (0.75) F2RL1HPGDMEN1ALDH1A1KMT2A
SCHEMBL15071136 0.73 F2RL1 (0.62) F2RL1HPGDNPC1RAB9AMEN1
SCHEMBL15071132 0.73 F2RL1 (0.64) F2RL1HPGDCNR1NPC1RAB9A
SCHEMBL15071141 0.73 F2RL1 (0.61) F2RL1HPGDNPC1RAB9AMEN1
SCHEMBL15071131 0.73 F2RL1 (0.61) F2RL1HPGDNPC1RAB9AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130165652-A1 NOVEL HETEROCYCLIC COMPOUND, AND COMPOSITION FOR TREATING INFLAMMATORY DISEASES USING SAME NEOPHARM CO.,LTD. (KR) 2013-06-27 — — US disclosed
US-20130165652-A1 NOVEL HETEROCYCLIC COMPOUND, AND COMPOSITION FOR TREATING INFLAMMATORY DISEASES USING SAME NEOPHARM CO.,LTD. (KR) 2013-06-27 — — US disclosed
WO-2012026765-A2 NOVEL HETEROCYCLIC COMPOUND, AND COMPOSITION FOR TREATING INFLAMMATORY DISEASES USING SAME (주)네오팜 (KR) 2012-03-01 — — 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-20130165652-A1 NOVEL HETEROCYCLIC COMPOUND, AND COMPOSITION FOR TREATING INFLAMMATORY DISEASES USING SAME F2RL1, F2R, FPR2 AKT1 669/4885AKT2 475/4885F2RL1 1/4885

“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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