SCHEMBL2086374

SCHEMBL2086374

COc1ccc(CC(CN)c2ccccc2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.68
CYP1A2 P05177 1/20 0.53
CYP2D6 P10635 1/20 0.53
CYP2C19 P33261 1/20 0.53
SLC6A4 P31645 1/20 0.51
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
LTA4H P09960 1/20 0.50
LDHA P00338 1/20 0.49
EPHX1 P07099 1/20 0.47
TAAR1 Q96RJ0 1/20 0.46
PPARG P37231 1/20 0.45
PPARA Q07869 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45

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
SCHEMBL9734257 0.91 ALDH1A1 (0.65) ALDH1A1CYP1A2CYP2D6CYP2C19SLC6A4
SCHEMBL631023 0.90 ALDH1A1 (0.66) ALDH1A1CYP1A2CYP2D6CYP2C19SLC6A4
SCHEMBL32665107 0.85 ALDH1A1 (0.54) ALDH1A1TAAR1
SCHEMBL5311110 0.83 MTNR1A (0.62) ALDH1A1SLC6A4TAAR1
SCHEMBL1541691 0.82 GABBR2 (0.53) ALDH1A1SLC6A4EPHX1TAAR1
SCHEMBL8810284 0.82 GABBR2 (0.53) ALDH1A1SLC6A4EPHX1TAAR1
SCHEMBL8621230 0.82 GABBR2 (0.53) ALDH1A1SLC6A4EPHX1TAAR1
SCHEMBL217345 0.80 MEN1 (0.62) ALDH1A1CYP1A2CYP2D6CYP2C19SLC6A4
Hydrochloric Acid SCHEMBL9734136 0.80 REN (0.49) ALDH1A1LTA4HPPARGPPARA
Hydrochloric Acid SCHEMBL1983404 0.80 GABBR2 (0.52) ALDH1A1SLC6A4EPHX1TAAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090233920-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2009-09-17 US claimed
EP-1907359-A2 3,5-SUBSTITUTED PIPERIDINE DERIVATIVES EFFECTIVE ON RENIN-RELATED DISORDERS Novartis AG (CH) 2008-04-09 EP claimed
WO-2007017652-A2 ARYLAKYLAMINES FOR THE TREATMENT OF CANCER ASTRAZENECA AB (SE) 2007-02-15 WO claimed
WO-2007006534-A2 PIPERIDINE DERIVATIVES USEFUL IN THE DIAGNOSTIC AND THERAPEUTIC TREATMENT OF DISEASES DEPENDING ON RENIN ACTIVITY NOVARTIS AG (CH) 2007-01-18 WO claimed
US-8163773-B2 Organic compounds NOVARTIS AG (CH) 2012-04-24 US disclosed
US-20090233920-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2009-09-17 US disclosed
EP-1907359-A2 3,5-SUBSTITUTED PIPERIDINE DERIVATIVES EFFECTIVE ON RENIN-RELATED DISORDERS Novartis AG (CH) 2008-04-09 EP disclosed
WO-2007017652-A2 ARYLAKYLAMINES FOR THE TREATMENT OF CANCER ASTRAZENECA AB (SE) 2007-02-15 WO disclosed
WO-2007006534-A2 PIPERIDINE DERIVATIVES USEFUL IN THE DIAGNOSTIC AND THERAPEUTIC TREATMENT OF DISEASES DEPENDING ON RENIN ACTIVITY NOVARTIS AG (CH) 2007-01-18 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 (1 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-20090233920-A1 ORGANIC COMPOUNDS REN, ACE, AGTR1 ALDH1A1 39/4885CYP1A2 261/4885CYP2D6 479/4885

“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.