SCHEMBL5168918

SCHEMBL5168918

CNCC=CC#CC(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.36
ADRA2A P08913 1/20 0.36
CYP2D6 P10635 1/20 0.36
SLC6A2 P23975 1/20 0.36
SQLE Q14534 1/20 0.36
SIGMAR1 Q99720 1/20 0.36

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
Hydrochloric Acid SCHEMBL9052381 0.98 LMNA (0.35) LMNAADRA2ACYP2D6SLC6A2SQLE
Hydrochloric Acid SCHEMBL6059948 0.98 LMNA (0.35) LMNAADRA2ACYP2D6SLC6A2SQLE
SCHEMBL8702270 0.78 KDM1A (0.35) LMNAADRA2ACYP2D6SLC6A2SQLE
SCHEMBL8699572 0.78 KDM1A (0.35) LMNAADRA2ACYP2D6SLC6A2SQLE
Hydrochloric Acid SCHEMBL9052404 0.77 KDM1A (0.38) LMNAADRA2ACYP2D6SLC6A2SQLE
Hydrochloric Acid SCHEMBL9052408 0.77 KDM1A (0.38) LMNAADRA2ACYP2D6SLC6A2SQLE
SCHEMBL8702258 0.75 KDM1A (0.33) LMNAADRA2ACYP2D6SLC6A2SQLE
SCHEMBL8702250 0.75 KDM1A (0.33) LMNAADRA2ACYP2D6SLC6A2SQLE
Hydrochloric Acid SCHEMBL9051545 0.74 KDM1A (0.35)
Hydrochloric Acid SCHEMBL9051551 0.74 KDM1A (0.35)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1561744-B1 AMINE DERIVATIVES, PROCESS FOR PRODUCING THE SAME AND THEIR USE AS ANTIMYCOTIC AGENT POLA CHEM IND INC (JP) 2007-04-18 EP disclosed
EP-1020426-B9 AMINE DERIVATIVES AND PROCESS FOR PRODUCING THE SAME POLA CHEM IND INC (JP) 2006-03-22 EP disclosed
US-20060004230-A1 Process for the preparation of terbinafine and salts thereof CHEMAGIS LTD. (IL) 2006-01-05 US disclosed
EP-1561744-A2 AMINE DERIVATIVES, PROCESS FOR PRODUCING THE SAME AND THEIR USE AS ANTIMYCOTIC AGENT POLA CHEMICAL INDUSTRIES INC. (JP) 2005-08-10 EP disclosed
EP-1020426-B1 AMINE DERIVATIVES AND PROCESS FOR PRODUCING THE SAME POLA CHEM IND INC (JP) 2005-07-13 EP disclosed
EP-1112998-B1 AMINE DERIVATIVES POLA CHEM IND INC (JP) 2004-12-08 EP disclosed
US-6586633-B1 Antifungal agents POLA CHEMICAL INDUSTRIES, INC. (JP) 2003-07-01 US disclosed
US-6570044-B2 Using Grignard reagent or metallic lithium in place of the highly pyrophoric butyllithium as proton extracting agent; intermediate in production of terbinafine CHEMAGIS LTD. (IL) 2003-05-27 US disclosed
US-20020016517-A1 Process for the preparation of 6,6-dimethylhept-1-en-4-yn-3-ol CHEMAGIS LTD. (IL) 2002-02-07 US disclosed
EP-1174407-A2 A process for the preparation of 6,6-dimethylhept-1-en-4-yn-3-ol CHEMAGIS LTD. (IL) 2002-01-23 EP disclosed
US-6329399-B1 Antifungal amine derivatives and processing for producing the same POLA CHEMICAL INDUSTRIES, INC. (JP) 2001-12-11 US disclosed
EP-1112998-A1 AMINE DERIVATIVES POLA CHEMICAL INDUSTRIES, INC. (JP) 2001-07-04 EP disclosed
EP-1020426-A1 AMINE DERIVATIVES AND PROCESS FOR PRODUCING THE SAME POLA CHEMICAL INDUSTRIES, INC. (JP) 2000-07-19 EP disclosed
JP-2000063348-A AROMATIC ANTIFUNGAL AGENT POLA CHEM IND INC 2000-02-29 JP disclosed
US-5234946-A Anticholesterol, antilipemic BANYU PHARMACEUTICAL CO., LTD. (JP) 1993-08-10 US disclosed
EP-0395768-A1 SUBSTITUTED ALLYLAMINE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE BANYU PHARMACEUTICAL CO., LTD. (JP) 1990-11-07 EP disclosed
US-4737516-A FUNGICIDES SANDOZ LTD. (CH) 1988-04-12 US disclosed
US-4382951-A FUNGICIDES SANDOZ LTD. (CH) 1983-05-10 US 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-20020016517-A1 Process for the preparation of 6,6-dimethylhept-1-en-4-yn-3-ol FUT6, ACR, HCN2 LMNA 200/4885ADRA2A 4193/4885CYP2D6 308/4885
US-20060004230-A1 Process for the preparation of terbinafine and salts thereof TPMT, HNMT, DHPS LMNA 3328/4885ADRA2A 3672/4885CYP2D6 5/4885

“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.