SCHEMBL4712261

SCHEMBL4712261

COC1(N)CCN(C)CC1

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
NEK2 P51955 1/20 0.33
GAA P10253 1/20 0.33
MAPK1 P28482 1/20 0.33
DRD4 P21917 1/20 0.30
OPRM1 P35372 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
SCHEMBL22991874 0.85
SCHEMBL20068871 0.77
SCHEMBL14834615 0.76
Hydrochloric Acid SCHEMBL456109 0.74
SCHEMBL20147701 0.73 CYP2D6 (0.42)
SCHEMBL22149130 0.72
SCHEMBL12051431 0.72 GAA (0.35) NEK2GAAMAPK1
SCHEMBL27755049 0.72 SCN1A (0.39) GAAOPRM1
SCHEMBL27572602 0.72 ALDH1A1 (0.33) GAAMAPK1DRD4OPRM1
SCHEMBL22117676 0.71

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024050370-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF 1CBIO, INC. (US) 2024-03-07 WO disclosed
US-20200383966-A9 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS ARRAY BIOPHARMA INC (US) 2020-12-10 US disclosed
US-20200030311-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS ARRAY BIOPHARMA, INC. 2020-01-30 US disclosed
EP-1323710-B1 NITROGENOUS FIVE-MEMBERED RING COMPOUNDS MITSUBISHI TANABE PHARMA CORP (JP) 2008-09-10 EP disclosed
US-7332487-B2 Nitrogen-containing 5-membered ring compound TANABE SEIYAKU CO., LTD. (JP) 2008-02-19 US disclosed
CN-1891689-A Aliphatic nitrogen - containing 5 - membered ring compound TANABE SEIYAKU CO (JP) 2007-01-10 CN disclosed
US-20060241146-A1 Nitrogen-containing 5-membered ring compound TANABE SEIYAKU CO., LTD. 2006-10-26 US disclosed
CN-1257891-C Nitrogenous five-membered ring compound TANABE SEIYAKU CO (JP) 2006-05-31 CN disclosed
CN-1468216-A Nitrogenous five-membered ring compound ������ҩ��ʽ���� 2004-01-14 CN disclosed
EP-1323710-A1 NITROGENOUS FIVE-MEMBERED RING COMPOUNDS Tanabe Seiyaku Co., Ltd. (JP) 2003-07-02 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 (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-20200383966-A9 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS RET, BRAF, RAF1 NEK2 329/4885GAA 3183/4885MAPK1 65/4885
US-20060241146-A1 Nitrogen-containing 5-membered ring compound ALK, SCO2, NPR1 NEK2 1922/4885GAA 4395/4885MAPK1 1122/4885
US-20200030311-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS RET, BRAF, RAF1 NEK2 329/4885GAA 3183/4885MAPK1 65/4885

“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.