SCHEMBL2335855

SCHEMBL2335855

N#Cc1ccc(OCCCC2CCN(CCCOc3ccc(C#N)cc3)CC2)cc1

nearest known ligand 0.68

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 13/20 0.68
HRH2 P25021 10/20 0.68
HRH1 P35367 10/20 0.68
SIGMAR1 Q99720 2/20 0.66
MEN1 O00255 3/20 0.63

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
SCHEMBL1714467 0.94 HRH3 (0.68) HRH3HRH2HRH1SIGMAR1MEN1
SCHEMBL3562862 0.92 HRH3 (0.62) HRH3HRH2HRH1SIGMAR1MEN1
SCHEMBL3560997 0.92 HRH3 (0.66) HRH3HRH2HRH1SIGMAR1MEN1
Water SCHEMBL2903086 0.92 HRH3 (0.66) HRH3HRH2HRH1SIGMAR1MEN1
SCHEMBL1714617 0.89 HRH3 (0.61) HRH3HRH2HRH1SIGMAR1MEN1
SCHEMBL2899427 0.89 HRH3 (0.58) HRH3HRH2HRH1SIGMAR1MEN1
SCHEMBL3559203 0.88 SIGMAR1 (0.56) HRH3HRH2HRH1SIGMAR1MEN1
SCHEMBL3558558 0.88 SIGMAR1 (0.56) HRH3HRH2HRH1SIGMAR1MEN1
SCHEMBL7328846 0.86 HRH3 (0.61) HRH3HRH2HRH1SIGMAR1MEN1
SCHEMBL1715391 0.85 HRH3 (0.84) HRH3HRH2HRH1MEN1

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 22 patents — showing the first 20. 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
US-8993603-B2 Pharmaceutical composition and method using antifungal agent in combination TOYAMA CHEMICAL CO., LTD. (JP) 2015-03-31 US disclosed
JP-5314284-B2 2013-10-16 JP disclosed
US-8536343-B2 Arylamidine derivative, salt thereof and antifungal agent containing those TOYAMA CHEMICAL CO., LTD. (JP) 2013-09-17 US disclosed
US-8536343-B2 Arylamidine derivative, salt thereof and antifungal agent containing those TOYAMA CHEMICAL CO., LTD. (JP) 2013-09-17 US disclosed
EP-1767526-B1 ARYLAMIDINE DERIVATIVE, SALT THEREOF AND ANTIFUNGAL CONTAINING THESE TOYAMA CHEMICAL CO LTD (JP) 2012-10-24 EP disclosed
EP-1867332-B1 PHARMACEUTICAL COMPOSITION AND METHOD USING ANTIFUNGAL AGENT IN COMBINATION TOYAMA CHEMICAL CO LTD (JP) 2011-08-24 EP disclosed
EP-1967190-B1 NOVEL ARYLAMIDINE DERIVATIVE, SALT THEREOF AND ANTIFUNGAL AGENT CONTAINING THOSE TOYAMA CHEMICAL CO LTD (JP) 2010-08-04 EP disclosed
US-7700623-B2 Arylamidine derivative, salt thereof, and antifungal containing these TOYAMA CHEMICAL CO., LTD. (JP) 2010-04-20 US 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-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
US-20080319016-A1 Novel Arylamidine Derivative, Salt Thereof, and Antifungal Containing These TOYAMA CHEMICAL CO., LTD. (JP) 2008-12-25 US disclosed
EP-1967190-A1 NOVEL ARYLAMIDINE DERIVATIVE, SALT THEREOF AND ANTIFUNGAL AGENT CONTAINING THOSE TOYAMA CHEMICAL CO., LTD. (JP) 2008-09-10 EP disclosed
EP-1867332-A1 PHARMACEUTICAL COMPOSITION AND METHOD USING ANTIFUNGAL AGENT IN COMBINATION TOYAMA CHEMICAL CO., LTD. (JP) 2007-12-19 EP disclosed
WO-2007055197-A1 METHOD FOR PRODUCING 4-(3-(4-(3-(4-CYANOPHENOXY)PROPYL)- 1-PIPERIDINYL)PROPOXY)BENZONITRILE AND INTERMEDIATE THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 2007-05-18 WO disclosed
WO-2007055197-A1 METHOD FOR PRODUCING 4-(3-(4-(3-(4-CYANOPHENOXY)PROPYL)- 1-PIPERIDINYL)PROPOXY)BENZONITRILE AND INTERMEDIATE THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 2007-05-18 WO disclosed
EP-1767526-A1 NOVEL ARYLAMIDINE DERIVATIVE, SALT THEREOF, AND ANTIFUNGAL CONTAINING THESE TOYAMA CHEMICAL CO., LTD. (JP) 2007-03-28 EP disclosed
EP-1767526-A1 NOVEL ARYLAMIDINE DERIVATIVE, SALT THEREOF, AND ANTIFUNGAL CONTAINING THESE TOYAMA CHEMICAL CO., LTD. (JP) 2007-03-28 EP 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-20090087480-A1 PHARMACEUTICAL COMPOSITION AND METHOD USING ANTIFUNGAL AGENT IN COMBINATION PIK3C3, ARSA, ACR HRH3 7/4885HRH2 8/4885HRH1 14/4885
US-20080319016-A1 Novel Arylamidine Derivative, Salt Thereof, and Antifungal Containing These NAT1, ERG28, SLC7A1 HRH3 78/4885HRH2 251/4885HRH1 330/4885

“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.