SCHEMBL7044947

SCHEMBL7044947

CN(C)C(=O)CN1CCCN(C2CCNCC2)C1=O

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PER2 O15055 8/20 0.36
TP53 P04637 1/20 0.36
POLB P06746 1/20 0.35
ITGB3 P05106 1/20 0.32
ITGA2B P08514 1/20 0.32
PLAT P00750 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
HTR2C P28335 2/20 0.32
HTR2B P41595 2/20 0.32
JAK2 O60674 1/20 0.31
JAK1 P23458 1/20 0.31
TYK2 P29597 1/20 0.31
JAK3 P52333 1/20 0.31

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
SCHEMBL2856411 0.83 ACE (0.46) PER2TP53POLBITGB3ITGA2B
SCHEMBL2855114 0.82 TSHR (0.44) PER2TP53HTR2CHTR2B
SCHEMBL5866444 0.82 POLB (0.41) PER2TP53POLBPLATKMT2A
SCHEMBL2852528 0.82 ITGB3 (0.38) PER2TP53ITGB3ITGA2B
SCHEMBL5866391 0.79 TP53 (0.41) PER2TP53HTR2CHTR2B
SCHEMBL2855287 0.73 TP53 (0.37) PER2TP53HTR2CHTR2B
SCHEMBL5866429 0.72 HPGD (0.51) PER2TP53POLB
SCHEMBL2865250 0.70 HTR2C (0.39) TP53HTR2CHTR2BJAK3
SCHEMBL8417394 0.68 ALDH1A1 (0.32) POLB
SCHEMBL27689294 0.68 PER2 (0.38) PER2TP53POLB

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-9388195-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-07-12 US disclosed
US-20150158882-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL (JP) 2015-06-11 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-5567700-A USEFUL FOR TREATING ASTHMA ZENECA LIMITED (GB) 1996-10-22 US disclosed
EP-0714392-A1 HETEROCYCLES USEFUL AS NEUROKININ ANTAGONISTS ZENECA LIMITED (GB) 1996-06-05 EP 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 (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-20150158882-A1 HETEROCYCLIC COMPOUND TP53, VHL, MGMT PER2 3227/4885TP53 1/4885POLB 2206/4885
US-20030187255-A1 Therapeutic heterocycles BDKRB2, TK2, TACR2 PER2 1485/4885TP53 1903/4885POLB 2792/4885

“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.