SCHEMBL5866429

SCHEMBL5866429

O=C(CN1CCCN(C2CCNCC2)C1=O)NCc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.51
TSHR P16473 2/20 0.50
KDM4E B2RXH2 1/20 0.49
HTT P42858 3/20 0.47
LMNA P02545 3/20 0.46
GAA P10253 1/20 0.46
F2 P00734 1/20 0.46
F10 P00742 1/20 0.46
USP2 O75604 1/20 0.44
TP53 P04637 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
PER2 O15055 1/20 0.43
POLB P06746 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 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
SCHEMBL5866432 0.82 CA1 (0.51) HPGDTSHRKDM4EHTTF2
SCHEMBL2852528 0.79 ITGB3 (0.38) LMNAGAATP53PER2
SCHEMBL2856411 0.78 ACE (0.46) LMNATP53PER2POLB
SCHEMBL2855114 0.75 TSHR (0.44) TSHRTP53PER2
SCHEMBL5866449 0.74 TACR2 (0.49) HPGDTSHR
SCHEMBL8419017 0.74 HPGD (0.56) HPGDTSHRKDM4EHTTLMNA
SCHEMBL2855094 0.72 TP53 (0.59) TSHRF2F10TP53PER2
SCHEMBL6524983 0.72 HTT (0.69) HTTGAAUSP2SMN1; SMN2POLB
SCHEMBL7044947 0.72 PER2 (0.36) TP53PER2POLB
Hydrochloric Acid SCHEMBL3838598 0.71 HTT (0.68) HTTGAAUSP2SMN1; SMN2POLB

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
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
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 (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 HPGD 79/4885TSHR 1083/4885KDM4E 3680/4885

“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.