SCHEMBL1855680

SCHEMBL1855680

CCCCCCCCCCCCNC(=O)c1cccc(-c2ccc(CN(Cc3ccc(Cl)cc3)C(=O)C(=O)O)cc2)c1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TMEM97 Q5BJF2 3/20 0.49
SIGMAR1 Q99720 3/20 0.49
NAAA Q02083 1/20 0.48
HDAC1 Q13547 2/20 0.48
HDAC2 Q92769 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.46
CNR1 P21554 1/20 0.44
DRD2 P14416 2/20 0.43
DRD4 P21917 2/20 0.43
DRD3 P35462 2/20 0.43
UTS2R Q9UKP6 3/20 0.43
LTB4R2 Q9NPC1 1/20 0.43

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
SCHEMBL1853060 1.00 TMEM97 (0.49) TMEM97SIGMAR1NAAAHDAC1HDAC2
SCHEMBL6440695 0.92 ERN1 (0.49) TMEM97SIGMAR1UTS2R
SCHEMBL1854934 0.89 EPHX2 (0.49) SMN1; SMN2UTS2RLTB4R2
SCHEMBL1861375 0.88 NAAA (0.48) TMEM97SIGMAR1NAAAHDAC1HDAC2
SCHEMBL1857017 0.88 NAAA (0.48) TMEM97SIGMAR1NAAAHDAC1HDAC2
SCHEMBL1853253 0.86 NAMPT (0.44) TMEM97SIGMAR1NAAAHDAC1HDAC2
SCHEMBL1858105 0.86 NAMPT (0.44) TMEM97SIGMAR1NAAAHDAC1HDAC2
SCHEMBL1854947 0.85 TMEM97 (0.54) TMEM97SIGMAR1NAAADRD2DRD4
SCHEMBL1855162 0.84 NAAA (0.60) TMEM97SIGMAR1NAAASMN1; SMN2
SCHEMBL1853343 0.83 TMEM97 (0.50) TMEM97SIGMAR1NAAADRD2DRD4

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
EP-1470102-B1 SUBSTITUTED METHYLENE AMIDE DERIVATIVES AS MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPS) MERCK SERONO SA (CH) 2011-05-25 EP claimed
EP-1732534-B1 USE OF METHYLENE AMIDE DERIVATIVES IN CARDIOVASCULAR DISORDERS SERONO LAB (CH) 2008-07-23 EP claimed
US-20070185118-A1 Use of methylene amide derivatives in cardiovascular disorders APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (NL) 2007-08-09 US claimed
EP-1470102-B1 SUBSTITUTED METHYLENE AMIDE DERIVATIVES AS MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPS) MERCK SERONO SA (CH) 2011-05-25 EP disclosed
US-7592477-B2 Substituted methylene amide derivatives as modulators of protein tyrosine phosphatases (PTPs) LABORATOIRES SERONO SA (CH) 2009-09-22 US disclosed
EP-1732534-B1 USE OF METHYLENE AMIDE DERIVATIVES IN CARDIOVASCULAR DISORDERS SERONO LAB (CH) 2008-07-23 EP disclosed
US-20070185118-A1 Use of methylene amide derivatives in cardiovascular disorders APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (NL) 2007-08-09 US disclosed
US-20050124656-A1 Substituted methylene amide derivatives as modulators of protein tyrosine phosphatases(ptps) APPLIED RESEARCH SYSTEMS ARS (NL) 2005-06-09 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 (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-20070185118-A1 Use of methylene amide derivatives in cardiovascular disorders TNNI3, TNNT2, ADM2 TMEM97 2395/4885SIGMAR1 2165/4885NAAA 684/4885
US-20050124656-A1 Substituted methylene amide derivatives as modulators of protein tyrosine phosphatases(ptps) PTPRS, PTPA, PTPMT1 TMEM97 3884/4885SIGMAR1 4339/4885NAAA 1643/4885

“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.