SCHEMBL5866442

SCHEMBL5866442

O=C1OCCN1C1CC[N]CC1

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 1/20 0.38
DGAT1 O75907 2/20 0.38
LTA4H P09960 5/20 0.36
KCNH2 Q12809 3/20 0.36
VNN1 O95497 1/20 0.36
PDE7A Q13946 1/20 0.34
CCR5 P51681 1/20 0.34
F10 P00742 1/20 0.33
NAAA Q02083 1/20 0.33
PIK3CD O00329 1/20 0.32

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
SCHEMBL15758671 0.87
SCHEMBL15758097 0.83 DGAT1 (0.43) NPY5RDGAT1LTA4HKCNH2VNN1
SCHEMBL2975423 0.82 DGAT1 (0.45) NPY5RDGAT1PDE7ANAAA
SCHEMBL20858666 0.82 DGAT1 (0.45) NPY5RDGAT1PDE7ANAAA
SCHEMBL29899279 0.82 NPY5R (0.36) NPY5RDGAT1LTA4HKCNH2VNN1
SCHEMBL13513105 0.82 DGAT1 (0.45) NPY5RDGAT1PDE7ANAAA
SCHEMBL3153823 0.80 NPY5R (0.36) NPY5RDGAT1LTA4HKCNH2VNN1
SCHEMBL21222454 0.78 NPY5R (0.38) NPY5RDGAT1LTA4HKCNH2VNN1
SCHEMBL21222451 0.78 NPY5R (0.38) NPY5RDGAT1LTA4HKCNH2VNN1
SCHEMBL1662903 0.78 TP53 (0.36) NPY5RDGAT1LTA4HKCNH2VNN1

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-7053213-B2 Therapeutic heterocycles ASTRAZENECA AB (SE) 2006-05-30 US disclosed
US-20030187255-A1 Therapeutic heterocycles MILLER SCOTT CARSON (US) 2003-10-02 US disclosed
US-6444809-B1 ANTIHISTAMINES ZENECA LIMITED (GB) 2002-09-03 US disclosed
US-6124279-A NEUROKININ A ANTAGONISTS, ANTIASTHMATIC AGENTS ZENECA LIMITED (GB) 2000-09-26 US disclosed
US-5990130-A NOVEL 4-SUBSTITUTED PIPERIDINE DERIVATIVES WHICH ANTAGONIZE NEUROKININ; USEFUL IN TREATMENT OF ASMTHMA AND RELATED CONDITIONS ZENECA LIMITED (GB) 1999-11-23 US disclosed
US-5861392-A NONPEPTIDE ANTAGONISTS OF NEUROKININ A USEFUL FOR THE TREATMENT OF ASTHMA ZENECA LIMITED (GB) 1999-01-19 US disclosed
EP-0714392-B1 HETEROCYCLES USEFUL AS NEUROKININ ANTAGONISTS ZENECA LTD (GB) 1998-11-04 EP disclosed
US-5567700-A USEFUL FOR TREATING ASTHMA ZENECA LIMITED (GB) 1996-10-22 US disclosed
WO-1995005377-A1 HETEROCYCLES USEFUL AS NEUROKININ ANTAGONISTS ZENECA LIMITED (GB) 1995-02-23 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-20030187255-A1 Therapeutic heterocycles BDKRB2, TK2, TACR2 NPY5R 665/4885DGAT1 4408/4885LTA4H 478/4885

“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.