SCHEMBL5866447

SCHEMBL5866447

CN1CCCN(C2CCNCC2)C1=S

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ HTR2C P28335 6/20 0.39
▸ HTR2B P41595 4/20 0.39
▸ NOS3 P29474 1/20 0.32
▸ NOS1 P29475 1/20 0.32
▸ TP53 P04637 1/20 0.32
▸ HTR2A P28223 2/20 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
SCHEMBL2865250 0.79 HTR2C (0.39) HTR2CHTR2BNOS3NOS1TP53
SCHEMBL8912218 0.73 HTR2C (0.46) HTR2CHTR2BNOS3NOS1TP53
SCHEMBL4873514 0.72 HTR2C (0.45) HTR2CHTR2BNOS3NOS1TP53
SCHEMBL11424733 0.68 — —
SCHEMBL2853627 0.67 TP53 (0.42) HTR2CHTR2BTP53HTR2A
SCHEMBL18183414 0.66 INMT (0.38) —
SCHEMBL18183422 0.66 INMT (0.38) —
Hydrochloric Acid SCHEMBL12501501 0.66 TP53 (0.41) HTR2CHTR2BTP53HTR2A
SCHEMBL5866391 0.65 TP53 (0.41) HTR2CHTR2BTP53
SCHEMBL297012 0.64 HTR2C (0.45) HTR2CHTR2BNOS3NOS1TP53

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
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
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 HTR2C 286/4885HTR2B 586/4885NOS3 4018/4885

“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.

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