SCHEMBL914593

SCHEMBL914593

C[C@@H]1C=CCN(Cc2ccccc2)C1

nearest known ligand 0.68

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.50
SIGMAR1 Q99720 1/20 0.47
FUCA1 P04066 2/20 0.46
MC4R P32245 1/20 0.44
LMNA P02545 1/20 0.43
POLB P06746 1/20 0.43
HRH2 P25021 1/20 0.42
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C19 P33261 1/20 0.41

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
SCHEMBL914591 1.00 ACHE (0.50) ACHESIGMAR1FUCA1MC4RLMNA
SCHEMBL914594 1.00 ACHE (0.50) ACHESIGMAR1FUCA1MC4RLMNA
SCHEMBL21812113 0.81 FUCA1 (0.56) ACHESIGMAR1FUCA1
SCHEMBL21917635 0.81 FUCA1 (0.56) ACHESIGMAR1FUCA1
SCHEMBL21812093 0.81 SIGMAR1 (0.48) ACHESIGMAR1FUCA1MC4RCYP1A2
SCHEMBL21917459 0.81 SIGMAR1 (0.48) ACHESIGMAR1FUCA1MC4RCYP1A2
SCHEMBL21812103 0.80 SIGMAR1 (0.44) ACHESIGMAR1FUCA1MC4RLMNA
SCHEMBL21917636 0.80 SIGMAR1 (0.44) ACHESIGMAR1FUCA1MC4RLMNA
SCHEMBL21812095 0.79 SIGMAR1 (0.47) ACHESIGMAR1FUCA1MC4RCYP1A2
SCHEMBL21812098 0.79 SIGMAR1 (0.47) ACHESIGMAR1FUCA1MC4RCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8183366-B2 Chemokine receptor antagonists NOVARTIS AG (CH) 2012-05-22 US disclosed
US-20110015180-A1 Chemokine receptor antagonists NOVARTIS AG (CH) 2011-01-20 US disclosed
US-7858781-B2 Chemokine receptor antagonists NOVARTIS AG (CH) 2010-12-28 US disclosed
EP-1720859-B1 CHEMOKINE RECEPTOR ANTAGONISTS NOVARTIS AG (CH) 2009-12-23 EP disclosed
US-20070155721-A1 Chemokine receptor antagonists NOVARTIS AG (CH) 2007-07-05 US disclosed
EP-1720859-A2 CHEMOKINE RECEPTOR ANTAGONISTS Novartis AG (CH) 2006-11-15 EP disclosed
WO-2005077932-A2 CHEMOKINE RECEPTOR ANTAGONISTS NOVARTIS AG (CH) 2005-08-25 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-20110015180-A1 Chemokine receptor antagonists ACKR3, CXCR2, CXCR4 ACHE 4338/4885SIGMAR1 277/4885FUCA1 2438/4885
US-20070155721-A1 Chemokine receptor antagonists ACKR3, CXCR2, CXCR4 ACHE 4358/4885SIGMAR1 284/4885FUCA1 2460/4885

“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.