SCHEMBL3565152

SCHEMBL3565152

N#Cc1ccc(OCCCCl)cc1F

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 5/20 0.45
CYP11B2 P19099 5/20 0.45
TRPV4 Q9HBA0 13/20 0.44
PLA2G7 Q13093 1/20 0.41
KCNH2 Q12809 1/20 0.41
TRPM8 Q7Z2W7 1/20 0.41
MAOB P27338 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
SCHEMBL7229886 0.88 CYP11B2 (0.50) CYP11B1CYP11B2
SCHEMBL9244079 0.87 CYP11B1 (0.51) CYP11B1CYP11B2TRPV4PLA2G7MAOB
SCHEMBL12460721 0.87 CYP11B1 (0.45) CYP11B1CYP11B2TRPV4PLA2G7MAOB
SCHEMBL1714514 0.85 CYP11B1 (0.44) CYP11B1CYP11B2TRPV4PLA2G7MAOB
SCHEMBL6245832 0.84 CYP11B1 (0.43) CYP11B1CYP11B2TRPV4PLA2G7MAOB
SCHEMBL14373911 0.84 CYP11B1 (0.49) CYP11B1CYP11B2TRPV4PLA2G7
SCHEMBL5314618 0.83 CYP11B1 (0.45) CYP11B1CYP11B2TRPV4PLA2G7MAOB
SCHEMBL15142447 0.83 CYP11B1 (0.48) CYP11B1CYP11B2TRPV4PLA2G7
SCHEMBL13481174 0.83 CYP11B1 (0.51) CYP11B1CYP11B2TRPV4PLA2G7MAOB
SCHEMBL2428048 0.83 CYP11B1 (0.45) CYP11B1CYP11B2TRPV4PLA2G7MAOB

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-8993603-B2 Pharmaceutical composition and method using antifungal agent in combination TOYAMA CHEMICAL CO., LTD. (JP) 2015-03-31 US disclosed
EP-1767526-B1 ARYLAMIDINE DERIVATIVE, SALT THEREOF AND ANTIFUNGAL CONTAINING THESE TOYAMA CHEMICAL CO LTD (JP) 2012-10-24 EP disclosed
US-7700623-B2 Arylamidine derivative, salt thereof, and antifungal containing these TOYAMA CHEMICAL CO., LTD. (JP) 2010-04-20 US disclosed
US-20090087480-A1 PHARMACEUTICAL COMPOSITION AND METHOD USING ANTIFUNGAL AGENT IN COMBINATION TOYAMA CHEMICAL CO., LTD. (JP) 2009-04-02 US disclosed
US-20080319016-A1 Novel Arylamidine Derivative, Salt Thereof, and Antifungal Containing These TOYAMA CHEMICAL CO., LTD. (JP) 2008-12-25 US disclosed
EP-1867332-A1 PHARMACEUTICAL COMPOSITION AND METHOD USING ANTIFUNGAL AGENT IN COMBINATION TOYAMA CHEMICAL CO., LTD. (JP) 2007-12-19 EP disclosed
EP-1767526-A1 NOVEL ARYLAMIDINE DERIVATIVE, SALT THEREOF, AND ANTIFUNGAL CONTAINING THESE TOYAMA CHEMICAL CO., LTD. (JP) 2007-03-28 EP disclosed
US-6559140-B2 Cyclic and bicyclic diamino histamine-3 receptor antagonists ABBOTT LABORATORIES 2003-05-06 US disclosed
US-20010049367-A1 Cyclic and bicyclic diamino histamine-3 receptor antagonists ABBVIE INC. 2001-12-06 US disclosed
WO-2001066534-A2 CYCLIC AND BICYCLIC DIAMINO HISTAMINE-3 RECEPTOR ANTAGONISTS ABBOTT LABORATORIES (US) 2001-09-13 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 (3 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-20010049367-A1 Cyclic and bicyclic diamino histamine-3 receptor antagonists HRH4, HRH2, HRH3 CYP11B1 3125/4885CYP11B2 2557/4885TRPV4 231/4885
US-20090087480-A1 PHARMACEUTICAL COMPOSITION AND METHOD USING ANTIFUNGAL AGENT IN COMBINATION PIK3C3, ARSA, ACR CYP11B1 1521/4885CYP11B2 1302/4885TRPV4 4684/4885
US-20080319016-A1 Novel Arylamidine Derivative, Salt Thereof, and Antifungal Containing These NAT1, ERG28, SLC7A1 CYP11B1 223/4885CYP11B2 261/4885TRPV4 3521/4885

“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.