SCHEMBL277498

SCHEMBL277498

CC1(C)CCCC(C)(C)N1CN1C(C)(C)CCCC1(C)C

nearest known ligand 0.37

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.33
NFKB1 P19838 1/20 0.33
CYP2C19 P33261 1/20 0.33

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
SCHEMBL18897426 0.87
SCHEMBL10170023 0.81 TSHR (0.38) TSHRNFKB1CYP2C19
SCHEMBL1555233 0.79 TSHR (0.32) TSHRNFKB1CYP2C19
SCHEMBL10170322 0.77 TSHR (0.35) TSHRNFKB1CYP2C19
SCHEMBL772228 0.77 TSHR (0.35) TSHRNFKB1CYP2C19
SCHEMBL537956 0.75 TSHR (0.30) TSHRNFKB1CYP2C19
SCHEMBL10170323 0.75 TSHR (0.34) TSHRNFKB1CYP2C19
SCHEMBL537957 0.75 TSHR (0.30) TSHRNFKB1CYP2C19
SCHEMBL8476820 0.75 TSHR (0.34) TSHRNFKB1CYP2C19
SCHEMBL10171052 0.75 TSHR (0.34) TSHRNFKB1CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9732100-B2 Preparation of alkaline earth metal-complexed metal bisamides from metal monoamides BAYER CROPSCIENCE AG (DE) 2017-08-15 US disclosed
US-9663546-B2 Metal amides of cyclic amines PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2017-05-30 US disclosed
US-9334292-B2 Alkaline earth metal-complexed metal bisamides BAYER CROPSCIENCE AG (DE) 2016-05-10 US disclosed
US-20160016977-A1 ALKALINE EARTH METAL-COMPLEXED METAL BISAMIDES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2016-01-21 US disclosed
US-20150368277-A1 PREPARATION OF ALKALINE EARTH METAL-COMPLEXED METAL BISAMIDES FROM METAL MONOAMIDES BAYER CROPSCIENCE AG (DE) 2015-12-24 US disclosed
US-8134005-B2 Preparation and use of magnesium amides Ludwig-Maximilians-Universitat München (DE) 2012-03-13 US disclosed
US-20100144516-A1 PREPARATION AND USE OF MAGNESIUM AMIDES LUDWIG-MAXIMILIANS-UNIVERSITAT MUNCHEN (DE) 2010-06-10 US disclosed
US-20090176988-A1 Preparation and Use of Magnesium Amides LUDWIG-MAXIMILIANS-UNIVERSITAT MUENCHEN (DE) 2009-07-09 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 (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-20150368277-A1 PREPARATION OF ALKALINE EARTH METAL-COMPLEXED METAL BISAMIDES FROM METAL MONOAMIDES ASH2L, NAAA, MGAM2 TSHR 4076/4885NFKB1 2509/4885CYP2C19 2505/4885
US-20160016977-A1 ALKALINE EARTH METAL-COMPLEXED METAL BISAMIDES AP1M1, FHIT, AP2M1 TSHR 4365/4885NFKB1 551/4885CYP2C19 1353/4885
US-20090176988-A1 Preparation and Use of Magnesium Amides MLX, GLRX3, SFXN3 TSHR 49/4885NFKB1 3093/4885CYP2C19 3247/4885

“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.