SCHEMBL4765844

SCHEMBL4765844

CCOC1(OCC)CCN(Cc2ccccc2)CC1N

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.43
HSD17B10 Q99714 1/20 0.43
SIGMAR1 Q99720 4/20 0.42
OPRL1 P41146 1/20 0.41
CYP2C19 P33261 3/20 0.41
CYP2D6 P10635 2/20 0.41
CYP2C9 P11712 2/20 0.41
BCHE P06276 1/20 0.41
ACHE P22303 1/20 0.41
ALDH1A1 P00352 2/20 0.40
CYP1A2 P05177 1/20 0.40
MEN1 O00255 1/20 0.40
TSHR P16473 1/20 0.40
KMT2A Q03164 1/20 0.40
HIF1A Q16665 1/20 0.40
POLB P06746 1/20 0.40

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
SCHEMBL1352550 0.79 CYP3A4 (0.49) CYP3A4HSD17B10SIGMAR1OPRL1CYP2C19
Hydrochloric Acid SCHEMBL28284233 0.77 POLB (0.48) CYP3A4HSD17B10SIGMAR1OPRL1CYP2C19
Hydrochloric Acid SCHEMBL28255032 0.77 POLB (0.48) CYP3A4HSD17B10SIGMAR1OPRL1CYP2C19
SCHEMBL2147364 0.75 CYP3A4 (0.56) CYP3A4HSD17B10SIGMAR1OPRL1CYP2C19
SCHEMBL728785 0.72 CYP2D6 (0.49) CYP3A4HSD17B10SIGMAR1OPRL1CYP2D6
SCHEMBL735709 0.72 SIGMAR1 (0.47) CYP3A4HSD17B10SIGMAR1CYP2C19CYP2D6
SCHEMBL27657086 0.72 CYP2D6 (0.43) CYP3A4HSD17B10SIGMAR1OPRL1CYP2D6
SCHEMBL9721841 0.69 SIGMAR1 (0.45) CYP3A4HSD17B10SIGMAR1CYP2C19CYP2D6
SCHEMBL3604123 0.69 SIGMAR1 (0.65) CYP3A4SIGMAR1CYP2C19CYP2D6BCHE
SCHEMBL9223591 0.69 JAK2 (0.47) CYP3A4HSD17B10SIGMAR1OPRL1CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2736907-B1 INDAZOLES PFIZER LTD (GB) 2015-10-07 EP disclosed
US-8895544-B2 Indazoles PFIZER LIMITED (GB) 2014-11-25 US disclosed
EP-2736907-A1 INDAZOLES Pfizer Limited (GB) 2014-06-04 EP disclosed
US-20140024634-A1 INDAZOLES PFIZER LIMITED (GB) 2014-01-23 US disclosed
US-8575336-B2 Indazoles PFIZER LIMITED (GB) 2013-11-05 US disclosed
WO-2013014567-A1 INDAZOLES PFIZER LIMITED (GB) 2013-01-31 WO disclosed
US-20130029968-A1 INDAZOLES PFIZER LIMITED (GB) 2013-01-31 US disclosed
EP-1636217-B1 2-IMIDAZO-BENZOTHIAZOLES AS ADENOSINE RECEPTOR LIGANDS HOFFMANN LA ROCHE (CH) 2008-09-03 EP disclosed
US-7122545-B2 Imidazo-benzothiazoles HOFFMANN-LA ROCHE INC. (US) 2006-10-17 US disclosed
US-7091200-B2 Quinazolone derivatives as alpha 1A/B adrenergic receptor antagonists SYNTEX U.S.A. LLC (US) 2006-08-15 US disclosed
US-6900220-B2 Quinazolone derivatives as alpha 1A/B adrenergic receptor antagonists SYNTEX (U.S.A.) LLC (US) 2005-05-31 US disclosed
US-20050107365-A1 Quinazolone derivatives as alpha 1A/B adrenergic receptor antagonists BECKER CYRUS K (US) 2005-05-19 US disclosed
EP-1363899-B1 QUINAZOLONE DERIVATIVES AS ALPHA 1A/B ADRENERGIC RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2005-05-11 EP disclosed
US-20040229862-A1 Imidazo-benzothiazoles F. HOFFMAN-LA ROCHE AG (CH) 2004-11-18 US disclosed
US-20030069230-A1 Quinazolone derivatives as alpha 1A/B adrenergic receptor antagonists SYNTEX (U.S.A.) LLC 2003-04-10 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 (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-20130029968-A1 INDAZOLES CYP11B2, CYP11B1, IL33 CYP3A4 13/4885HSD17B10 399/4885SIGMAR1 1808/4885
US-20030069230-A1 Quinazolone derivatives as alpha 1A/B adrenergic receptor antagonists ADRB1, ADRB2, ADRA2B CYP3A4 135/4885HSD17B10 1376/4885SIGMAR1 18/4885
US-20140024634-A1 INDAZOLES JAK1, JAK3, JAK2 CYP3A4 443/4885HSD17B10 1713/4885SIGMAR1 3568/4885
US-20040229862-A1 Imidazo-benzothiazoles ADORA1, ADORA3, ADORA2A CYP3A4 1063/4885HSD17B10 4200/4885SIGMAR1 39/4885
US-20050107365-A1 Quinazolone derivatives as alpha 1A/B adrenergic receptor antagonists ADRB1, ADRB2, ADRA2B CYP3A4 135/4885HSD17B10 1463/4885SIGMAR1 19/4885

“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.