SCHEMBL17464490

SCHEMBL17464490

O=C(CCc1ccccc1)N1CCC(Cn2cnc3cc(-c4ccccn4)ccc32)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 1/20 0.51
NAMPT P43490 1/20 0.47
F2 P00734 1/20 0.47
ALDH1A1 P00352 1/20 0.45
POLB P06746 1/20 0.44
KDM5C P41229 2/20 0.44
KDM4C Q9H3R0 2/20 0.44
KDM4A O75164 1/20 0.44
KDM2A Q9Y2K7 1/20 0.44
FAAH O00519 1/20 0.44
CHRNB2 P17787 1/20 0.44
CHRNB4 P30926 1/20 0.44
CHRNA3 P32297 1/20 0.44
CHRNA4 P43681 1/20 0.44
TACR1 P25103 2/20 0.43
USP7 Q93009 4/20 0.42
NPY5R Q15761 1/20 0.41
KDM6B O15054 1/20 0.41
KDM3A Q9Y4C1 1/20 0.41
NPC1 O15118 1/20 0.41

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
SCHEMBL17464472 0.91 NAMPT (0.51) GRIN2BNAMPTF2ALDH1A1POLB
SCHEMBL17464476 0.86 F2 (0.49) GRIN2BNAMPTF2POLBKDM5C
SCHEMBL17069490 0.86 GRIN2B (0.51) GRIN2BF2ALDH1A1POLBKDM5C
SCHEMBL17464477 0.85 KDM5C (0.45) GRIN2BNAMPTF2POLBKDM5C
SCHEMBL17453702 0.85 GRK2 (0.47) GRIN2BNAMPTF2POLBKDM5C
SCHEMBL17464474 0.83 F2 (0.46) GRIN2BNAMPTF2ALDH1A1POLB
SCHEMBL19362127 0.82 GRK2 (0.45) GRIN2BNAMPTF2ALDH1A1POLB
SCHEMBL17453716 0.82 GRK2 (0.45) GRIN2BNAMPTF2ALDH1A1POLB
SCHEMBL17464486 0.81 F2 (0.44) GRIN2BNAMPTF2POLBFAAH
SCHEMBL17463703 0.81 GRIN2B (0.50) GRIN2BF2ALDH1A1POLBKDM5C

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 GRIN2B 1369/4885NAMPT 1609/4885F2 4880/4885
US-20160024052-A1 BENZIMIDAZOLE RETINOIC ACID RECEPTOR-RELATED ORPHAN RECEPTOR MODULATORS AND USES THEREOF RARB, RARA, RARG GRIN2B 1369/4885NAMPT 1609/4885F2 4880/4885

“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.