SCHEMBL4468600

SCHEMBL4468600

[CH2]CCN1CCC(c2c[nH]c3ccccc23)CC1

nearest known ligand 0.72

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ADRA1D P25100 4/20 0.72
SLC6A4 P31645 1/20 0.69
CYP2D6 P10635 1/20 0.67
KDM4E B2RXH2 1/20 0.60
ATM Q13315 1/20 0.60

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
SCHEMBL4479868 0.92 ADRA1D (0.77) ADRA1DSLC6A4CYP2D6
SCHEMBL14306777 0.91 ADRA1D (0.80) ADRA1DSLC6A4CYP2D6KDM4EATM
SCHEMBL4475225 0.89 ADRA1D (0.67) ADRA1DSLC6A4CYP2D6KDM4EATM
Hydrochloric Acid SCHEMBL7259157 0.87 ADRA1D (0.90) ADRA1DSLC6A4CYP2D6
SCHEMBL6383575 0.86 ADRA1D (0.72) ADRA1DSLC6A4CYP2D6
SCHEMBL9672545 0.86 SLC6A4 (0.81) ADRA1DSLC6A4CYP2D6KDM4EATM
SCHEMBL5705230 0.84 SLC6A4 (0.90) ADRA1DSLC6A4CYP2D6
SCHEMBL11039326 0.84 ADRA1D (0.77) ADRA1DSLC6A4CYP2D6
SCHEMBL9032327 0.84 ADRA1D (0.69) ADRA1DSLC6A4CYP2D6
SCHEMBL25759842 0.83 ADRA1D (0.67) ADRA1DSLC6A4CYP2D6KDM4EATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7572808-B2 Triazolopyridine cannabinoid receptor 1 antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2009-08-11 US claimed
EP-1891068-A1 TRIAZOLOPYRIDINE DERIVATIVES AS CANNABINOID RECEPTOR 1 ANTAGONISTS Bristol-Myers Squibb Company (US) 2008-02-27 EP claimed
US-20070004772-A1 Triazolopyridine cannabinoid receptor 1 antagonists BRISTOL-MYERS SQUIBB COMPANY 2007-01-04 US claimed
WO-2006138695-A1 TRIAZOLOPYRIDINE DERIVATIVES AS CANNABINOID RECEPTOR 1 ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2006-12-28 WO claimed
CN-1158258-C Alpha 1 beta-adrenergic receptor antagonists ������������ʽ���� 2004-07-21 CN disclosed
CN-1327444-A Alpha 1 beta-adrenergic receptor antagonists TORAY INDUSTRIES (JP) 2001-12-19 CN 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-20070004772-A1 Triazolopyridine cannabinoid receptor 1 antagonists CNR1, CNR2, TRPV1 ADRA1D 11/4885SLC6A4 1123/4885CYP2D6 431/4885

“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.