SCHEMBL17063239

SCHEMBL17063239

O=C(CCc1ccccc1)N1CCC(Cn2ccc3cc(-c4c[nH]nn4)ccc32)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.44
CHRNB4 P30926 1/20 0.44
CHRNA3 P32297 1/20 0.44
CHRNA4 P43681 1/20 0.44
F2 P00734 1/20 0.43
GRIN2B Q13224 1/20 0.42
POLB P06746 1/20 0.42
ACHE P22303 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
FAAH O00519 1/20 0.40
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
KDM4A O75164 1/20 0.39
KDM5C P41229 1/20 0.39
KDM4C Q9H3R0 1/20 0.39
KDM2A Q9Y2K7 1/20 0.39
NPC1 O15118 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
TACR1 P25103 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
SCHEMBL17063329 0.87 CHRNB2 (0.44) CHRNB2CHRNB4CHRNA3CHRNA4F2
SCHEMBL17063363 0.86 HTR2B (0.41) F2ACHEKDM4E
SCHEMBL17069490 0.85 GRIN2B (0.51) CHRNB2CHRNB4CHRNA3CHRNA4F2
SCHEMBL17069503 0.85 F2 (0.47) CHRNB2CHRNB4CHRNA3CHRNA4F2
SCHEMBL17069463 0.84 CHRNB2 (0.42) CHRNB2CHRNB4CHRNA3CHRNA4F2
SCHEMBL17063373 0.84 KDM5C (0.44) CHRNB2CHRNB4CHRNA3CHRNA4F2
SCHEMBL17069505 0.84 F2 (0.43) CHRNB2CHRNB4CHRNA3CHRNA4F2
SCHEMBL17063475 0.83 GRIN2B (0.46) CHRNB2CHRNB4CHRNA3CHRNA4F2
SCHEMBL17063407 0.82 F2 (0.42) CHRNB2CHRNB4CHRNA3CHRNA4F2
SCHEMBL17063393 0.82 P2RX3 (0.46) CHRNB2CHRNB4CHRNA3CHRNA4F2

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 6 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
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
US-20150252022-A1 RETINOIC ACID RECEPTOR-RELATED ORPHAN RECEPTOR MODULATORS AND USES THEREOF INNOV17 LLC 2015-09-10 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 (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 CHRNB2 433/4885CHRNB4 649/4885CHRNA3 437/4885

“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.