SCHEMBL7480253

SCHEMBL7480253

CC(C)Oc1cc(C(O)CN2CCN(CCc3ccccc3)CC2)ccc1C1C=CC=C(N)N1C(=O)C(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADRA1D P25100 5/20 0.38
ADRA1A P35348 5/20 0.38
ADRA1B P35368 5/20 0.38
ADRB2 P07550 2/20 0.36
ADRB1 P08588 2/20 0.36
ADRB3 P13945 2/20 0.36
HTR2A P28223 2/20 0.35
KDM4E B2RXH2 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
TSHR P16473 1/20 0.35
HTR2C P28335 1/20 0.35

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
SCHEMBL6701981 0.71 NOS1 (0.51) ADRA1DADRA1AADRA1BHTR2AKDM4E
SCHEMBL7480247 0.70 GRIN2B (0.40) ADRA1DADRA1AADRA1BADRB2ADRB1
SCHEMBL6700692 0.65 NOS1 (0.52) ADRA1DADRA1AADRA1BADRB2ADRB1
SCHEMBL4168502 0.63 KDM4E (0.52) HTR2AKDM4ECYP1A2CYP3A4CYP2D6
SCHEMBL6703574 0.61 NOS1 (0.48) HTR2AKDM4ECYP1A2CYP3A4CYP2D6
SCHEMBL27567942 0.60 ADRA1D (0.49) ADRA1DADRA1AADRA1BADRB2ADRB1
SCHEMBL9179569 0.59 HTR2A (0.82) HTR2AKDM4ECYP1A2CYP3A4CYP2D6
SCHEMBL6699624 0.59 NOS1 (0.60) ADRA1DADRA1AADRA1B
SCHEMBL4167478 0.59 GAA (0.50) HTR2AKDM4ECYP1A2CYP3A4CYP2D6
SCHEMBL4164330 0.59 KDM4E (0.58) HTR2AKDM4ECYP1A2CYP3A4CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020151572-A1 PHARMACEUTICAL USES FOR NOS INHIBITORS LOWE JOHN A (US) 2002-10-17 US disclosed
EP-1007512-B1 BRANCHED ALKOXY-SUBSITUTED 2-AMINOPYRIDINES AS NOS INHIBITORS PFIZER PROD INC (US) 2002-04-03 EP disclosed
US-6362195-B1 INHIBITOR OF NITRIC OXIDE SYNTHASE; CENTRAL NERVOUS SYSTEM DISORDERS PFIZER INC. 2002-03-26 US disclosed
US-20020022642-A1 Branched alkoxy-subsituted 2-aminopyridines LOWE JOHN ADAMS (US) 2002-02-21 US disclosed
EP-1109556-A2 NEW PHARMACEUTICAL USES FOR NOS INHIBITORS Pfizer Products Inc. (US) 2001-06-27 EP disclosed
EP-1007512-A1 BRANCHED ALKOXY-SUBSITUTED 2-AMINOPYRIDINES AS NOS INHIBITORS Pfizer Products Inc. (US) 2000-06-14 EP disclosed
WO-2000009130-A2 NEW PHARMACEUTICAL USES FOR NOS INHIBITORS PFIZER PRODUCTS INC. (US) 2000-02-24 WO disclosed
WO-1999011620-A1 BRANCHED ALKOXY-SUBSITUTED 2-AMINOPYRIDINES AS NOS INHIBITORS PFIZER PRODUCTS INC. (US) 1999-03-11 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 (2 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-20020022642-A1 Branched alkoxy-subsituted 2-aminopyridines NOS3, NOS2, PNMT ADRA1D 47/4885ADRA1A 67/4885ADRA1B 96/4885
US-20020151572-A1 PHARMACEUTICAL USES FOR NOS INHIBITORS NOS1, NOS3, NOS2 ADRA1D 814/4885ADRA1A 558/4885ADRA1B 626/4885

“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.