SCHEMBL1740604

SCHEMBL1740604

c1ccc(CC2CN(C(c3ccccc3)c3ccccc3)C2)cc1

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
OPRM1 P35372 1/20 0.45
OPRD1 P41143 1/20 0.45
OPRK1 P41145 1/20 0.45
OPRL1 P41146 1/20 0.45
MAPK1 P28482 1/20 0.45
ATM Q13315 1/20 0.44
CCR3 P51677 1/20 0.43
GBA1 P04062 1/20 0.43

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
SCHEMBL16226629 0.81 GRIN2B (0.58) MEN1KMT2ACCR3
SCHEMBL16759363 0.81 SLC6A9 (0.46) MEN1KMT2AOPRM1OPRD1ATM
SCHEMBL84788 0.79 OPRM1 (0.44) MEN1KMT2AOPRM1OPRD1OPRK1
SCHEMBL15981158 0.79 HRH3 (0.54) OPRK1CCR3
SCHEMBL85392 0.79 OPRM1 (0.48) MEN1KMT2AOPRM1OPRD1OPRK1
SCHEMBL72670 0.79 MEN1 (0.48) MEN1KMT2AOPRM1OPRD1OPRK1
SCHEMBL14141067 0.79 OPRM1 (0.44) MEN1KMT2AOPRM1OPRD1OPRK1
SCHEMBL15166137 0.79 OPRD1 (0.57) MEN1KMT2AOPRD1
Hydrochloric Acid SCHEMBL3552812 0.78 MEN1 (0.47) MEN1KMT2AOPRM1OPRD1OPRK1
Hydrochloric Acid SCHEMBL4159913 0.78 OPRM1 (0.43) MEN1KMT2AOPRM1OPRD1OPRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140088081-A1 Amino-Heterocyclic Compounds PFIZER INC. (US) 2014-03-27 US disclosed
US-20140088081-A1 Amino-Heterocyclic Compounds PFIZER INC. (US) 2014-03-27 US disclosed
US-20140088081-A1 Amino-Heterocyclic Compounds PFIZER INC. (US) 2014-03-27 US disclosed
US-8618117-B2 Amino-heterocyclic compounds PFIZER INC. (US) 2013-12-31 US disclosed
EP-2389382-B1 Amino-heterocyclic compounds used as pde9 inhibitors PFIZER (US) 2013-06-05 EP disclosed
EP-2389382-B1 Amino-heterocyclic compounds used as pde9 inhibitors PFIZER (US) 2013-06-05 EP disclosed
US-20120329777-A1 Amino-Heterocyclic Compounds PFIZER INC. 2012-12-27 US disclosed
US-20120329777-A1 Amino-Heterocyclic Compounds PFIZER INC. 2012-12-27 US disclosed
US-20120329777-A1 Amino-Heterocyclic Compounds PFIZER INC. 2012-12-27 US disclosed
US-8278295-B2 Amino-heterocyclic compounds PFIZER INC. (US) 2012-10-02 US disclosed
US-8278295-B2 Amino-heterocyclic compounds PFIZER INC. (US) 2012-10-02 US disclosed
US-8278295-B2 Amino-heterocyclic compounds PFIZER INC. (US) 2012-10-02 US disclosed
EP-2389382-A1 Amino-heterocyclic compounds used as pde9 inhibitors Pfizer Inc. (US) 2011-11-30 EP disclosed
US-8041687-B2 Dynamic generation of XML Schema for backend driven data validation INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2011-10-18 US disclosed
US-20100190771-A1 AMINO-HETEROCYCLIC COMPOUNDS PFIZER INC. 2010-07-29 US disclosed
US-20100190771-A1 AMINO-HETEROCYCLIC COMPOUNDS PFIZER INC. 2010-07-29 US disclosed
US-20100190771-A1 AMINO-HETEROCYCLIC COMPOUNDS PFIZER INC. 2010-07-29 US disclosed
WO-2010084438-A1 AMINO-HETEROCYCLIC COMPOUNDS USED AS PDE9 INHIBITORS PFIZER INC. (US) 2010-07-29 WO disclosed
WO-2010084438-A1 AMINO-HETEROCYCLIC COMPOUNDS USED AS PDE9 INHIBITORS PFIZER INC. (US) 2010-07-29 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 (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-20120329777-A1 Amino-Heterocyclic Compounds PDE9A, PDE2A, PDE10A MEN1 3122/4885KMT2A 1487/4885OPRM1 3328/4885
US-20100190771-A1 AMINO-HETEROCYCLIC COMPOUNDS PDE9A, PDE2A, PDE10A MEN1 3122/4885KMT2A 1487/4885OPRM1 3328/4885
US-20140088081-A1 Amino-Heterocyclic Compounds PDE9A, PDE2A, PDE10A MEN1 3122/4885KMT2A 1487/4885OPRM1 3328/4885

“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.