SCHEMBL2274647

SCHEMBL2274647

NCc1ccc(-c2ccc(CN)cc2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 1.00
TAAR1 Q96RJ0 4/20 0.78
LOXL2 Q9Y4K0 7/20 0.61
ABAT P80404 1/20 0.58
ADRB2 P07550 1/20 0.56
CYP2A6 P11509 1/20 0.56
LTA4H P09960 1/20 0.54
ASIC3 Q9UHC3 1/20 0.48
F10 P00742 1/20 0.48
F11 P03951 1/20 0.48

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
SCHEMBL15828 0.89 HRH3 (0.79) HRH3TAAR1LOXL2ABATADRB2
SCHEMBL131842 0.88 TAAR1 (1.00) HRH3TAAR1LOXL2ADRB2CYP2A6
SCHEMBL3787138 0.88 LOXL2 (0.83) HRH3TAAR1LOXL2ABATADRB2
SCHEMBL22291708 0.88 TAAR1 (1.00) HRH3TAAR1LOXL2ADRB2CYP2A6
SCHEMBL22202237 0.88 TAAR1 (1.00) HRH3TAAR1LOXL2ADRB2CYP2A6
SCHEMBL16253356 0.86 HRH3 (0.74) HRH3TAAR1LOXL2ABATADRB2
SCHEMBL4415525 0.86 LOXL2 (0.84) HRH3TAAR1LOXL2ADRB2CYP2A6
Hydrochloric Acid SCHEMBL7921699 0.86 TAAR1 (0.95) HRH3TAAR1LOXL2ADRB2CYP2A6
SCHEMBL13814906 0.86 HRH3 (0.74) HRH3TAAR1LOXL2ABATADRB2
SCHEMBL2571691 0.86 ABAT (0.84) HRH3TAAR1LOXL2ABAT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1778299-A4 METHODS FOR PREPARING MULTIVALENT CONSTRUCTS FOR THERAPEUTIC AND DIAGNOSTIC APPLICATIONS BRACCO INT BV (NL) 2009-08-26 EP claimed
EP-1778299-A2 METHODS FOR PREPARING MULTIVALENT CONSTRUCTS FOR THERAPEUTIC AND DIAGNOSTIC APPLICATIONS BRACCO INTERNATIONAL B.V. (NL) 2007-05-02 EP claimed
WO-2006096207-A2 METHODS FOR PREPARING MULTIVALENT CONSTRUCTS FOR THERAPEUTIC AND DIAGNOSTIC APPLICATIONS BRACCO INTERNATIONAL B.V. (NL) 2006-09-14 WO claimed
US-20050147555-A1 Methods for preparing multivalent constructs for therapeutic and diagnostic applications and methods of preparing the same BRACCO SUISSE SA (CH) 2005-07-07 US claimed
US-20230371289-A1 IMAGING DEVICE PANASONIC INTELLECTUAL PROPERTY MANAGEMENT CO., LTD. (JP) 2023-11-16 US disclosed
US-10809574-B2 Liquid crystal alignment agent, liquid crystal alignment film, and liquid crystal display device SHARP KABUSHIKI KAISHA (JP) 2020-10-20 US disclosed
US-20190233731-A1 LIQUID CRYSTAL ALIGNMENT AGENT, LIQUID CRYSTAL ALIGNMENT FILM, AND LIQUID CRYSTAL DISPLAY DEVICE SHARP KABUSHIKI KAISHA (JP) 2019-08-01 US disclosed
US-8993523-B2 Dimeric IAP inhibitors NOVARTIS AG (CH) 2015-03-31 US disclosed
US-20130309247-A1 DIMERIC IAP INHIBITORS NOVARTIS AG (CH) 2013-11-21 US disclosed
EP-2651919-A1 DIMERIC IAP INHIBITORS Novartis AG (CH) 2013-10-23 EP disclosed
WO-2012080271-A1 DIMERIC IAP INHIBITORS NOVARTIS AG (CH) 2012-06-21 WO disclosed
US-8003750-B2 Thermosetting composition HUNTSMAN INTERNATIONAL LLC (US) 2011-08-23 US disclosed
EP-1199333-A1 RESIN COMPOSITION CONTAINING CRYSTALLINE POLYIMIDE TEIJIN LIMITED (JP) 2002-04-24 EP disclosed
EP-0872504-A1 CURABLE EPOXY RESIN COMPOSITION WHICH GIVES FLEXIBLE CURED ARTICLE ASAHI DENKA KOGYO KABUSHIKI KAISHA (JP) 1998-10-21 EP disclosed
EP-0870790-A1 CURABLE EPOXY RESIN COMPOSITION ASAHI DENKA KOGYO KABUSHIKI KAISHA (JP) 1998-10-14 EP disclosed
EP-0241133-B1 Polymaleimide compound and a composition containing the same ASAHI CHEMICAL IND (JP) 1994-08-03 EP disclosed
US-4761460-A SOLUBLE IN LOW-BOILING SOLVENTS, CURABLE ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 1988-08-02 US disclosed
EP-0241133-A2 Polymaleimide compound and a composition containing the same Asahi Kasei Kogyo Kabushiki Kaisha (JP) 1987-10-14 EP disclosed
US-4231789-A APPLYING AN ALKYLENEDIAMINE OKII MITSUYOSHI 1980-11-04 US disclosed
US-3996201-A MOLDING CIBA-GEIGY CORPORATION (US) 1976-12-07 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-20130309247-A1 DIMERIC IAP INHIBITORS XIAP, BIRC5, BIRC2 HRH3 4808/4885TAAR1 4493/4885LOXL2 2437/4885
US-20050147555-A1 Methods for preparing multivalent constructs for therapeutic and diagnostic applications and methods of preparing the same LDHB, FPGS, MTHFD2 HRH3 2716/4885TAAR1 4205/4885LOXL2 3789/4885

“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.