SCHEMBL4936129

SCHEMBL4936129

Nc1ccc(C(=O)NC2CN3CCC2CC3)cc1I

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 10/20 0.61
HTR3A P46098 5/20 0.61
HTR3E A5X5Y0 4/20 0.61
HTR3B O95264 4/20 0.61
HTR3D Q70Z44 4/20 0.61
HTR3C Q8WXA8 4/20 0.61
ALOX15 P16050 1/20 0.61
TSHR P16473 1/20 0.61
CHRNB4 P30926 2/20 0.58
CHRNA3 P32297 2/20 0.58
CYP2D6 P10635 1/20 0.58

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
SCHEMBL4949371 0.90 CHRNA7 (0.61) CHRNA7HTR3AHTR3EHTR3BHTR3D
SCHEMBL19996959 0.85 CHRNA7 (0.61) CHRNA7HTR3AHTR3EHTR3BHTR3D
SCHEMBL19996931 0.82 CHRNA7 (0.61) CHRNA7HTR3AHTR3EHTR3BHTR3D
SCHEMBL13880728 0.82 HTR3A (0.63) CHRNA7HTR3AHTR3EHTR3BHTR3D
SCHEMBL13881186 0.82 HTR3A (0.63) CHRNA7HTR3AHTR3EHTR3BHTR3D
SCHEMBL13881240 0.82 HTR3A (0.63) CHRNA7HTR3AHTR3EHTR3BHTR3D
SCHEMBL7281353 0.81 CHRNA7 (0.74) CHRNA7HTR3AHTR3EHTR3BHTR3D
SCHEMBL3499448 0.81 CHRNA7 (0.74) CHRNA7HTR3AHTR3EHTR3BHTR3D
SCHEMBL3499446 0.81 CHRNA7 (0.74) CHRNA7HTR3AHTR3EHTR3BHTR3D
SCHEMBL4218709 0.81 CHRNA7 (0.74) CHRNA7HTR3AHTR3EHTR3BHTR3D

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190040057-A1 HETEROARYL CARBOXAMIDES BAYER HEALTHCARE AG (DE) 2019-02-07 US disclosed
US-20190040057-A1 HETEROARYL CARBOXAMIDES BAYER HEALTHCARE AG (DE) 2019-02-07 US disclosed
US-9926311-B2 Heteroaryl carboxamides BAYER INTELLECTUAL PROPERTY GMBH (DE) 2018-03-27 US disclosed
US-9926311-B2 Heteroaryl carboxamides BAYER INTELLECTUAL PROPERTY GMBH (DE) 2018-03-27 US disclosed
US-20160214975-A1 HETEROARYL CARBOXAMIDES BAYER HEALTHCARE AG (DE) 2016-07-28 US disclosed
US-20160214975-A1 HETEROARYL CARBOXAMIDES BAYER HEALTHCARE AG (DE) 2016-07-28 US disclosed
US-9139579-B2 Heteroaryl carboxamides BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-09-22 US disclosed
US-9139579-B2 Heteroaryl carboxamides BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-09-22 US disclosed
US-20130144062-A1 HETEROARYL CARBOXAMIDES Bayer Pharma AG (DE) 2013-06-06 US disclosed
US-20130144062-A1 HETEROARYL CARBOXAMIDES Bayer Pharma AG (DE) 2013-06-06 US disclosed
US-20080009624-A1 Heteroaryl carboxamides BAYER HEALTHCARE AG (DE) 2008-01-10 US disclosed
US-20080009624-A1 Heteroaryl carboxamides BAYER HEALTHCARE AG (DE) 2008-01-10 US disclosed
US-20080009624-A1 Heteroaryl carboxamides BAYER HEALTHCARE AG (DE) 2008-01-10 US disclosed
EP-1448530-B1 HETEROARYL CARBOXYLIC ACID AMIDES BAYER HEALTHCARE AG (DE) 2007-10-03 EP disclosed
US-7256288-B2 Heteroaryl carboxylic acid amides BAYER HEALTHCARE AG (DE) 2007-08-14 US disclosed
US-7256288-B2 Heteroaryl carboxylic acid amides BAYER HEALTHCARE AG (DE) 2007-08-14 US disclosed
US-7256288-B2 Heteroaryl carboxylic acid amides BAYER HEALTHCARE AG (DE) 2007-08-14 US disclosed
US-20050209236-A1 Heteroaryl carboxylic acid amides BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2005-09-22 US disclosed
EP-1448530-A1 HETEROARYL CARBOXYLIC ACID AMIDES Bayer HealthCare AG (DE) 2004-08-25 EP disclosed
WO-2003043991-A1 HETEROARYL CARBOXYLIC ACID AMIDES BAYER HEALTHCARE AG (DE) 2003-05-30 WO 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 (5 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-20130144062-A1 HETEROARYL CARBOXAMIDES GRIN2A, GRIN2C, CNR2 CHRNA7 41/4885HTR3A 318/4885HTR3E 322/4885
US-20160214975-A1 HETEROARYL CARBOXAMIDES GRIN2A, GRIN2C, CNR2 CHRNA7 41/4885HTR3A 318/4885HTR3E 322/4885
US-20190040057-A1 HETEROARYL CARBOXAMIDES CNR2, GRIN2A, CNR1 CHRNA7 52/4885HTR3A 194/4885HTR3E 252/4885
US-20050209236-A1 Heteroaryl carboxylic acid amides HCAR2, HCAR1, HCAR3 CHRNA7 153/4885HTR3A 536/4885HTR3E 1131/4885
US-20080009624-A1 Heteroaryl carboxamides GRIN2A, GRIN2C, CNR2 CHRNA7 41/4885HTR3A 318/4885HTR3E 322/4885

“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.