SCHEMBL3354520

SCHEMBL3354520

O=C1Nc2cc[c]cc2CO1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 2/20 0.41
CYP11B2 P19099 2/20 0.41
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
PDE3B Q13370 1/20 0.31
PDE3A Q14432 1/20 0.31
KCNH2 Q12809 1/20 0.31
GRIN2D O15399 1/20 0.30
GRIN3B O60391 1/20 0.30
GRIN1 Q05586 1/20 0.30
GRIN2A Q12879 1/20 0.30
GRIN2B Q13224 1/20 0.30
GRIN2C Q14957 1/20 0.30
GRIN3A Q8TCU5 1/20 0.30

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
SCHEMBL3353117 0.86 CYP11B1 (0.38) CYP11B1CYP11B2MAOAMAOBPDE3B
SCHEMBL3352150 0.83 CYP11B1 (0.31) CYP11B1CYP11B2
SCHEMBL464780 0.73 AHR (0.50) CYP11B1CYP11B2MAOAMAOBGRIN2D
SCHEMBL3358269 0.72 NPC1 (0.30)
Hydrochloric Acid SCHEMBL10918416 0.72 AHR (0.48) CYP11B1CYP11B2MAOAMAOBGRIN2D
SCHEMBL443143 0.72 AHR (0.53) CYP11B1CYP11B2MAOBPDE3BPDE3A
SCHEMBL986343 0.70 NPC1 (0.55) CYP11B1CYP11B2MAOAMAOBPDE3B
SCHEMBL5331855 0.69
SCHEMBL1744832 0.69 PDE3B (0.46) CYP11B1CYP11B2PDE3BPDE3A
SCHEMBL1977147 0.68 MAOA (0.61) MAOAMAOBKCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230295157-A1 3-(1H-IMIDAZOL-2-YL)-2,3,8,8A-TETRAHYDROINDOLIZIN-5(1H)-ONE DERIVATIVES USEFUL AS FACTOR XIA INHIBITORS JANSSEN RESEARCH & DEVELOPMENT, LLC 2023-09-21 US claimed
EP-4185588-A1 3-(1H-IMIDAZOL-2-YL)-2,3,8,8A-TETRAHYDROINDOLIZIN-5(1H)-ONE DERIVATIVES USEFUL AS FACTOR XIA INHIBITORS Janssen Pharmaceutica NV (BE) 2023-05-31 EP claimed
WO-2023064195-A1 CGRP ANTAGONISTS FOR TREATING TRIGEMINAL NEURALGIA PFIZER IRELAND PHARMACEUTICALS (IE) 2023-04-20 WO claimed
WO-2023034467-A2 CGRP ANTAGONISTS FOR TREATING SKIN CONDITIONS PFIZER IRELAND PHARMACEUTICALS (IE) 2023-03-09 WO claimed
EP-1539766-B1 CALCITONIN GENE RELATED PEPTIDE RECEPTOR ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2016-12-21 EP claimed
US-7842808-B2 calcitonin gene-related peptide receptors antagonists such as 4-(2-Oxo-2,3-dihydro-benzoimidazol-1-yl)-piperidine-1-carboxylic acid[2-(1,4-dioxa-8-aza-spiro [4.5]dec-8-yl)-1-(1H-indol-5-ylmethyl)-2-oxo-ethyl]-amide, used for treating headaches, pain, hot flashes or respiratory system disorders BRISTOL-MYERS SQUIBB COMPANY (US) 2010-11-30 US claimed
US-7314883-B2 Anti-migraine treatments BRISTOL-MYERS SQUIBB COMPANY (US) 2008-01-01 US claimed
US-20070232600-A1 ANTI-MIGRAINE TREATMENTS BRISTOL-MYERS SQUIBB COMPANY 2007-10-04 US claimed
US-20070149503-A1 ANTI-MIGRAINE SPIROCYCLES BRISTOL-MYERS SQUIBB COMPANY 2007-06-28 US claimed
US-7220862-B2 Calcitonin gene related peptide receptor antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2007-05-22 US claimed
US-20040204397-A1 Calcitonin gene related peptide receptor antagonists BRISTOL-MYERS SQUIBB COMPANY 2004-10-14 US claimed
EP-0462813-B1 Bicyclic pyran derivatives and their use as inhibitors of 5-lipoxygenase ZENECA LTD (GB) 1995-10-25 EP claimed
US-5217969-A Antiinflammatory, antiulcer agent IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-06-08 US claimed
EP-0462813-A2 Bicyclic pyran derivatives and their use as inhibitors of 5-lipoxygenase ZENECA LIMITED (GB) 1991-12-27 EP claimed
US-20230295157-A1 3-(1H-IMIDAZOL-2-YL)-2,3,8,8A-TETRAHYDROINDOLIZIN-5(1H)-ONE DERIVATIVES USEFUL AS FACTOR XIA INHIBITORS JANSSEN RESEARCH & DEVELOPMENT, LLC 2023-09-21 US disclosed
EP-4185588-A1 3-(1H-IMIDAZOL-2-YL)-2,3,8,8A-TETRAHYDROINDOLIZIN-5(1H)-ONE DERIVATIVES USEFUL AS FACTOR XIA INHIBITORS Janssen Pharmaceutica NV (BE) 2023-05-31 EP disclosed
EP-1539766-B1 CALCITONIN GENE RELATED PEPTIDE RECEPTOR ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2016-12-21 EP disclosed
EP-0462813-A2 Bicyclic pyran derivatives and their use as inhibitors of 5-lipoxygenase ZENECA LIMITED (GB) 1991-12-27 EP disclosed
US-4816454-A CARDIOVASCULAR DISORDERS CASSELLA AKTIENGESELLSCHAFT (DE) 1989-03-28 US disclosed
EP-0175363-A2 4,5-Dihydro-3(2H)-pyridazinones, process for their preparation and their use CASSELLA Aktiengesellschaft (DE) 1986-03-26 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 (4 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-20070149503-A1 ANTI-MIGRAINE SPIROCYCLES CALCRL, CALCR, CALCA CYP11B1 467/4885CYP11B2 450/4885MAOA 1279/4885
US-20230295157-A1 3-(1H-IMIDAZOL-2-YL)-2,3,8,8A-TETRAHYDROINDOLIZIN-5(1H)-ONE DERIVATIVES USEFUL AS FACTOR XIA INHIBITORS SERPINC1, F11, TFPI2 CYP11B1 2405/4885CYP11B2 2112/4885MAOA 749/4885
US-20070232600-A1 ANTI-MIGRAINE TREATMENTS BDKRB2, PTGIR, CALCRL CYP11B1 573/4885CYP11B2 553/4885MAOA 471/4885
US-20040204397-A1 Calcitonin gene related peptide receptor antagonists CALCRL, CALCA, CALCR CYP11B1 514/4885CYP11B2 708/4885MAOA 966/4885

“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.