SCHEMBL17464476

SCHEMBL17464476

O=C(CCc1ccccc1)N1CCC(Cn2cnc3cc(-c4cn[nH]n4)ccc32)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 1/20 0.49
NAMPT P43490 2/20 0.45
GRIN2B Q13224 1/20 0.44
POLB P06746 1/20 0.41
CHRNB2 P17787 1/20 0.41
CHRNB4 P30926 1/20 0.41
CHRNA3 P32297 1/20 0.41
CHRNA4 P43681 1/20 0.41
KDM5C P41229 2/20 0.40
KDM4C Q9H3R0 2/20 0.40
KDM4A O75164 1/20 0.40
KDM2A Q9Y2K7 1/20 0.40
USP7 Q93009 4/20 0.40
FAAH O00519 1/20 0.40
NPC1 O15118 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
TACR1 P25103 1/20 0.38
FLT3 P36888 1/20 0.38
NAAA Q02083 1/20 0.38
CDK9 P50750 1/20 0.38

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
SCHEMBL17453702 0.87 GRK2 (0.47) F2NAMPTGRIN2BPOLBCHRNB2
SCHEMBL17464490 0.86 GRIN2B (0.51) F2NAMPTGRIN2BPOLBCHRNB2
SCHEMBL17069503 0.86 F2 (0.47) F2GRIN2BPOLBCHRNB2CHRNB4
SCHEMBL17464472 0.86 NAMPT (0.51) F2NAMPTGRIN2BPOLBCHRNB2
SCHEMBL17453716 0.85 GRK2 (0.45) F2NAMPTGRIN2BPOLBCHRNB2
SCHEMBL19362127 0.85 GRK2 (0.45) F2NAMPTGRIN2BPOLBCHRNB2
SCHEMBL17464486 0.84 F2 (0.44) F2NAMPTGRIN2BPOLBCHRNB2
SCHEMBL17464477 0.83 KDM5C (0.45) F2NAMPTGRIN2BPOLBCHRNB2
SCHEMBL17464474 0.82 F2 (0.46) F2NAMPTGRIN2BPOLBCHRNB2
SCHEMBL17463692 0.82 F2 (0.49) F2GRIN2BPOLBCHRNB2CHRNB4

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-9771374-B2 Benzimidazole retinoic acid receptor-related orphan receptor modulators and uses thereof INNOV17 LLC (US) 2017-09-26 US disclosed
US-9771374-B2 Benzimidazole retinoic acid receptor-related orphan receptor modulators and uses thereof INNOV17 LLC (US) 2017-09-26 US disclosed
US-9771374-B2 Benzimidazole retinoic acid receptor-related orphan receptor modulators and uses thereof INNOV17 LLC (US) 2017-09-26 US disclosed
US-20170190712-A1 BENZIMIDAZOLE RETINOIC ACID RECEPTOR-RELATED ORPHAN RECEPTOR MODULATORS AND USES THEREOF INNOV17 LLC 2017-07-06 US disclosed
US-20170190712-A1 BENZIMIDAZOLE RETINOIC ACID RECEPTOR-RELATED ORPHAN RECEPTOR MODULATORS AND USES THEREOF INNOV17 LLC 2017-07-06 US disclosed
US-20160024052-A1 BENZIMIDAZOLE RETINOIC ACID RECEPTOR-RELATED ORPHAN RECEPTOR MODULATORS AND USES THEREOF INNOV17 LLC (US) 2016-01-28 US disclosed
US-20160024052-A1 BENZIMIDAZOLE RETINOIC ACID RECEPTOR-RELATED ORPHAN RECEPTOR MODULATORS AND USES THEREOF INNOV17 LLC (US) 2016-01-28 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-20170190712-A1 BENZIMIDAZOLE RETINOIC ACID RECEPTOR-RELATED ORPHAN RECEPTOR MODULATORS AND USES THEREOF RARB, RARA, RARG F2 4880/4885NAMPT 1609/4885GRIN2B 1369/4885
US-20160024052-A1 BENZIMIDAZOLE RETINOIC ACID RECEPTOR-RELATED ORPHAN RECEPTOR MODULATORS AND USES THEREOF RARB, RARA, RARG F2 4880/4885NAMPT 1609/4885GRIN2B 1369/4885

“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.