SCHEMBL6030852

SCHEMBL6030852

c1ccc(CCCCn2ccnc2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HMOX1 P09601 2/20 0.71
CYP19A1 P11511 3/20 0.64
TBXAS1 P24557 4/20 0.61
CYP1A2 P05177 1/20 0.61
POLB P06746 1/20 0.61
CYP3A4 P08684 1/20 0.61
CYP2D6 P10635 1/20 0.61
MAPT P10636 1/20 0.61
CYP11B1 P15538 1/20 0.61
CYP11B2 P19099 1/20 0.61
QPCT Q16769 1/20 0.61
CYP4Z1 Q86W10 1/20 0.61
QPCTL Q9NXS2 1/20 0.61

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
Hydrochloric Acid SCHEMBL9996042 0.98 HMOX1 (0.69) HMOX1CYP19A1TBXAS1CYP1A2POLB
SCHEMBL12045329 0.98 HMOX1 (0.69) HMOX1CYP19A1TBXAS1CYP1A2POLB
Hydrochloric Acid SCHEMBL9996078 0.97 HMOX1 (0.68) HMOX1CYP19A1TBXAS1CYP1A2POLB
SCHEMBL3160306 0.95 CYP19A1 (0.71) HMOX1CYP19A1TBXAS1CYP1A2POLB
Hydrochloric Acid SCHEMBL411704 0.93 CYP19A1 (0.69) HMOX1CYP19A1TBXAS1CYP1A2POLB
SCHEMBL12045347 0.91 HMOX1 (0.84) HMOX1CYP19A1TBXAS1
Hydrochloric Acid SCHEMBL9996059 0.89 HMOX1 (0.81) HMOX1CYP19A1TBXAS1
SCHEMBL230077 0.89 CYP19A1 (0.63) HMOX1CYP19A1TBXAS1CYP1A2POLB
SCHEMBL227437 0.89 CYP19A1 (0.63) HMOX1CYP19A1TBXAS1CYP1A2POLB
SCHEMBL19681102 0.88 HMOX1 (0.65) HMOX1CYP19A1TBXAS1QPCT

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140155445-A1 Compounds and Methods for Treating Cancer and Diseases of the Central Nervous System QUEEN'S UNIVERSITY AT KINGSTON (CA) 2014-06-05 US disclosed
US-20140155445-A1 Compounds and Methods for Treating Cancer and Diseases of the Central Nervous System QUEEN'S UNIVERSITY AT KINGSTON (CA) 2014-06-05 US disclosed
US-20110319459-A1 Compounds and Methods for Treating Cancer and Diseases of the Central Nervous System OSTA BIOTECHNOLOGIES (CA) 2011-12-29 US disclosed
US-20110319459-A1 Compounds and Methods for Treating Cancer and Diseases of the Central Nervous System OSTA BIOTECHNOLOGIES (CA) 2011-12-29 US disclosed
US-7148214-B1 Antihistaminic spiro compounds JANSSEN PHARMACEUTICA, N.V. (BE) 2006-12-12 US disclosed
US-7087595-B2 Antihistaminic spiro compounds JANSSEN PHARMACEUTICA, N.V. (BE) 2006-08-08 US disclosed
EP-1144411-B1 ANTIHISTAMINIC SPIRO COMPOUNDS JANSSEN PHARMACEUTICA NV (BE) 2005-04-27 EP disclosed
US-20050026901-A1 Antiallergens; vision disorders JANSSENS FRANS EDUARD (BE) 2005-02-03 US disclosed
EP-1144411-A1 ANTIHISTAMINIC SPIRO COMPOUNDS Janssen Pharmaceutica N.V. (BE) 2001-10-17 EP disclosed
WO-2000037470-A1 ANTIHISTAMINIC SPIRO COMPOUNDS JANSSEN PHARMACEUTICA N.V. (BE) 2000-06-29 WO disclosed
EP-0071060-B1 6-(4-(OMEGA-(1-IMIDAZOLYL)-ALKYL)-PHENYL)-3-OXO-2,3,4,5-TETRAHYDRO-PYRIDAZINES AND THEIR ACID-ADDITION SALTS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOUNDS CONTAINING THEM A. Nattermann & Cie. GmbH (DE) 1986-09-10 EP disclosed
US-4507298-A 6-{4-(ω-(1-imidazolyl)-alkyl-phenyl}-3-oxo-2,3,4,5-tetrahydro-pyridazines and acid addition salts thereof, and a process for the treatment of inflammatory, atherosclerotic and thromboembolic illnesses in humans A. NATTERMANN & CIE GMBH (DE) 1985-03-26 US disclosed
EP-0071060-A2 6-(4-(Omega-(1-imidazolyl)-alkyl)-phenyl)-3-oxo-2,3,4,5-tetrahydro-pyridazines and their acid-addition salts, process for their preparation and pharmaceutical compounds containing them A. Nattermann & Cie. GmbH (DE) 1983-02-09 EP 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 (3 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-20110319459-A1 Compounds and Methods for Treating Cancer and Diseases of the Central Nervous System TXNRD2, HMOX1, HMOX2 HMOX1 2/4885CYP19A1 884/4885TBXAS1 469/4885
US-20050026901-A1 Antiallergens; vision disorders UACA, LTB4R, HLA-B HMOX1 714/4885CYP19A1 454/4885TBXAS1 1399/4885
US-20140155445-A1 Compounds and Methods for Treating Cancer and Diseases of the Central Nervous System HMOX1, HMOX2, CYC1 HMOX1 1/4885CYP19A1 641/4885TBXAS1 1071/4885

“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.