SCHEMBL17063344

SCHEMBL17063344

O=C(OCc1ccccc1)N1CCCC(Cn2ccc3cc(Br)ccc32)CC1

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
CYP2C19 P33261 1/20 0.46
GRIN2B Q13224 5/20 0.45
CYP2D6 P10635 2/20 0.44
CYP2C9 P11712 2/20 0.44
ACHE P22303 1/20 0.44
CYP3A4 P08684 1/20 0.42
F2 P00734 1/20 0.42

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
SCHEMBL17063326 0.96 SMN1; SMN2 (0.51) SMN1; SMN2NPC1RAB9ACYP2C19GRIN2B
SCHEMBL17063250 0.91 SMN1; SMN2 (0.47) SMN1; SMN2NPC1RAB9ACYP2C19GRIN2B
SCHEMBL19461283 0.86 GRIN2B (0.47) SMN1; SMN2NPC1RAB9ACYP2C19GRIN2B
SCHEMBL19461486 0.85 GRIN2B (0.47) SMN1; SMN2NPC1RAB9ACYP2C19GRIN2B
SCHEMBL17078958 0.84 HTR7 (0.44) ACHEF2
SCHEMBL17063266 0.80 POLB (0.50) SMN1; SMN2NPC1GRIN2BACHEF2
SCHEMBL4828209 0.80 SMN1; SMN2 (0.52) SMN1; SMN2NPC1RAB9ACYP2C19GRIN2B
SCHEMBL17453902 0.79 SMN1; SMN2 (0.49) SMN1; SMN2NPC1RAB9ACYP2C19GRIN2B
SCHEMBL17453723 0.79 GRIN2B (0.51) SMN1; SMN2NPC1RAB9ACYP2C19GRIN2B
SCHEMBL17063383 0.79 KDM4E (0.46) ACHEF2

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
US-9701663-B2 Sulfonamide retinoic acid receptor-related orphan receptor modulators and uses thereof INNOV17 LLC (US) 2017-07-11 US disclosed
EP-3172195-A1 SULFONAMIDE RETINOIC ACID RECEPTOR-RELATED ORPHAN RECEPTOR MODULATORS AND USES THEREOF Innov17 LLC (US) 2017-05-31 EP disclosed
WO-2016014910-A1 SULFONAMIDE RETINOIC ACID RECEPTOR-RELATED ORPHAN RECEPTOR MODULATORS AND USES THEREOF INNOV17 LLC (US) 2016-01-28 WO disclosed
US-20160024056-A1 SULFONAMIDE RETINOIC ACID RECEPTOR-RELATED ORPHAN RECEPTOR MODULATORS AND USES THEREOF INNOV17 LLC 2016-01-28 US disclosed
US-20150252022-A1 RETINOIC ACID RECEPTOR-RELATED ORPHAN RECEPTOR MODULATORS AND USES THEREOF INNOV17 LLC 2015-09-10 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-20160024056-A1 SULFONAMIDE RETINOIC ACID RECEPTOR-RELATED ORPHAN RECEPTOR MODULATORS AND USES THEREOF RARA, RARB, RXRA SMN1; SMN2 235/4885NPC1 1453/4885RAB9A 1256/4885
US-20150252022-A1 RETINOIC ACID RECEPTOR-RELATED ORPHAN RECEPTOR MODULATORS AND USES THEREOF RARA, RARB, RARG SMN1; SMN2 645/4885NPC1 628/4885RAB9A 741/4885

“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.