SCHEMBL17063363

SCHEMBL17063363

O=C(c1ccccc1)N1CCC(Cn2ccc3cc(-c4c[nH]nn4)ccc32)CC1

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR2B P41595 2/20 0.41
BRD4 O60885 1/20 0.41
NAMPT P43490 1/20 0.41
ACACB O00763 2/20 0.40
ACACA Q13085 2/20 0.40
ACHE P22303 1/20 0.40
CHEK2 O96017 2/20 0.40
F2 P00734 1/20 0.40
KDM4E B2RXH2 1/20 0.39

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
SCHEMBL17063239 0.86 CHRNB2 (0.44) ACHEF2KDM4E
SCHEMBL17063251 0.84 NAMPT (0.43) HTR2BBRD4NAMPTACACBACACA
SCHEMBL17069458 0.83 ROCK2 (0.42) HTR2BBRD4NAMPTACHEKDM4E
SCHEMBL17063383 0.80 KDM4E (0.46) BRD4NAMPTACHEF2KDM4E
SCHEMBL19461585 0.78 JAK1 (0.44) HTR2BBRD4NAMPTACACBACACA
SCHEMBL17063332 0.76 KDM4E (0.44) NAMPTACHEF2KDM4E
SCHEMBL19461813 0.75 JAK1 (0.42) HTR2BNAMPTACACBACACACHEK2
SCHEMBL17462971 0.74 NAMPT (0.44) HTR2BBRD4NAMPTACACBACACA
SCHEMBL19461752 0.74 JAK1 (0.45) HTR2BNAMPTACACBACACACHEK2
SCHEMBL17063311 0.74 RXRA (0.42) HTR2BBRD4NAMPTACHEF2

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
EP-3116504-A2 RETINOIC ACID RECEPTOR-RELATED ORPHAN RECEPTOR MODULATORS AND USES THEREOF Innov17 LLC (US) 2017-01-18 EP disclosed
WO-2015138276-A2 RETINOIC ACID RECEPTOR-RELATED ORPHAN RECEPTOR MODULATORS AND USES THEREOF INNOV17 LLC (US) 2015-09-17 WO 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 (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-20150252022-A1 RETINOIC ACID RECEPTOR-RELATED ORPHAN RECEPTOR MODULATORS AND USES THEREOF RARA, RARB, RARG HTR2B 3071/4885BRD4 4543/4885NAMPT 1918/4885

“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.