SCHEMBL2384566

SCHEMBL2384566

O=C(OCc1ccccc1)N1CCC(c2cccc(O)c2)CC1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.62
▸ NPC1 O15118 2/20 0.62
▸ RAB9A P51151 2/20 0.62
▸ DRD2 P14416 2/20 0.61
▸ CYP2C19 P33261 1/20 0.60
▸ BCL9 O00512 1/20 0.56
▸ CTNNB1 P35222 1/20 0.56
▸ PDE4B Q07343 1/20 0.53
▸ MEN1 O00255 1/20 0.53
▸ KMT2A Q03164 1/20 0.53
▸ NPSR1 Q6W5P4 1/20 0.53
▸ CHRM4 P08173 1/20 0.53
▸ GRIN2B Q13224 5/20 0.51
▸ HTT P42858 1/20 0.51
▸ CYP2D6 P10635 2/20 0.50
▸ CYP2C9 P11712 2/20 0.50
▸ USP30 Q70CQ3 1/20 0.48
▸ JAK2 O60674 1/20 0.48
▸ JAK1 P23458 1/20 0.48
▸ TYK2 P29597 1/20 0.48

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
SCHEMBL4035554 0.90 SMN1; SMN2 (0.72) SMN1; SMN2NPC1RAB9ACYP2C19BCL9
SCHEMBL31198753 0.88 SMN1; SMN2 (0.60) SMN1; SMN2NPC1RAB9ADRD2CYP2C19
SCHEMBL6749252 0.88 SMN1; SMN2 (0.60) SMN1; SMN2NPC1RAB9ACYP2C19BCL9
SCHEMBL6745682 0.87 SMN1; SMN2 (0.58) SMN1; SMN2NPC1RAB9ADRD2CYP2C19
SCHEMBL7502284 0.86 BCL9 (0.62) SMN1; SMN2NPC1RAB9ADRD2CYP2C19
SCHEMBL6749001 0.86 SMN1; SMN2 (0.67) SMN1; SMN2NPC1RAB9ACYP2C19PDE4B
SCHEMBL8316925 0.84 SMN1; SMN2 (0.61) SMN1; SMN2NPC1RAB9ACYP2C19PDE4B
SCHEMBL12251452 0.84 BCL9 (0.60) SMN1; SMN2NPC1RAB9ACYP2C19BCL9
SCHEMBL6752005 0.84 HTT (0.59) SMN1; SMN2NPC1RAB9ACYP2C19BCL9
SCHEMBL31198939 0.83 SMN1; SMN2 (0.54) SMN1; SMN2NPC1RAB9ADRD2CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8293715-B2 10a-Azalide compound crosslinked at 10a- and 12-positions TAISHO PHARMACEUTICAL CO., LTD. (JP) 2012-10-23 — — US disclosed
US-20110237784-A1 10A-AZALIDE COMPOUND CROSSLINKED AT 10A- AND 12-POSITIONS TAISHO PHARMACEUTICAL CO., LTD. (JP) 2011-09-29 — — US disclosed
EP-2177526-A1 10A-AZALIDE COMPOUND CROSSLINKED AT POSITION-10A AND POSITION-12 Taisho Pharmaceutical Co. Ltd. (JP) 2010-04-21 — — EP disclosed
CN-1061977-C Aryl substituted heterocycles ZENECA LTD (GB) 2001-02-14 — — CN disclosed
EP-0630887-B1 4-(aryl-substituted)-piperidines as neurokinin receptor antagonists ZENECA LTD (GB) 1999-07-28 — — EP disclosed
US-5654299-A TREATING RESPIRATORY SYSTEM DISORDER (I.E. ASTHMA) WITH NEUROKININ 2 RECEPTOR ANTAGONIST ZENECA LIMITED (GB) 1997-08-05 — — US disclosed
EP-0630887-A1 4-(aryl-substituted)-piperidines as neurokinin receptor antagonists ZENECA LIMITED (GB) 1994-12-28 — — EP 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-20110237784-A1 10A-AZALIDE COMPOUND CROSSLINKED AT 10A- AND 12-POSITIONS DCLRE1A, AZI2, CHD9 SMN1; SMN2 3679/4885NPC1 3703/4885RAB9A 58/4885

“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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