SCHEMBL13547239

SCHEMBL13547239

CC(C)(C)C1CCCCNCC1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.36
EPHX1 P07099 1/20 0.34
MEN1 O00255 1/20 0.31
LMNA P02545 1/20 0.31
CYP2D6 P10635 1/20 0.31
HRH1 P35367 1/20 0.31
SCN1A P35498 1/20 0.31
KMT2A Q03164 1/20 0.31
SCN2A Q99250 1/20 0.31
SCN3A Q9NY46 1/20 0.31
CXCR4 P61073 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
SSTR4 P31391 1/20 0.30

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
SCHEMBL13547345 0.93 MEN1 (0.32) ALDH1A1EPHX1MEN1LMNACYP2D6
SCHEMBL22142244 0.93 MEN1 (0.32) ALDH1A1EPHX1MEN1LMNACYP2D6
SCHEMBL10236409 0.93 MEN1 (0.32) ALDH1A1EPHX1MEN1LMNACYP2D6
SCHEMBL22433108 0.87 SMN1; SMN2 (0.35) ALDH1A1EPHX1LMNACXCR4SMN1; SMN2
SCHEMBL104705 0.87 LMNA (0.37) EPHX1MEN1LMNACYP2D6HRH1
Hydrochloric Acid SCHEMBL2253109 0.85 MEN1 (0.35) EPHX1MEN1LMNACYP2D6HRH1
SCHEMBL23260533 0.84 SSTR4 (0.35) EPHX1SSTR4
SCHEMBL23260534 0.82 SSTR4 (0.37) EPHX1SSTR4
SCHEMBL10129028 0.81 SSTR4 (0.36) ALDH1A1EPHX1LMNACYP2D6KMT2A
SCHEMBL14092960 0.81 SSTR4 (0.36) ALDH1A1EPHX1LMNACYP2D6KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200291003-A1 NOVEL SULFONAMIDE CARBOXAMIDE COMPOUNDS SYGNATURE DISCOVERY LIMITED (GB) 2020-09-17 US disclosed
US-9216991-B2 Pyrimidine pyrazolyl derivatives ARES TRADING S.A. (CH) 2015-12-22 US disclosed
US-9216991-B2 Pyrimidine pyrazolyl derivatives ARES TRADING S.A. (CH) 2015-12-22 US disclosed
US-20150141396-A1 PYRIMIDINE PYRAZOLYL DERIVATIVES ARES TRADING S.A. (CH) 2015-05-21 US disclosed
US-20150141396-A1 PYRIMIDINE PYRAZOLYL DERIVATIVES ARES TRADING S.A. (CH) 2015-05-21 US disclosed
US-20100009957-A1 NOVEL INHIBITORS OF BETA-LACTAMASE MERCK SHARP & DOHME CORP. 2010-01-14 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-20100009957-A1 NOVEL INHIBITORS OF BETA-LACTAMASE MGAM, SI, MGAM2 ALDH1A1 796/4885EPHX1 2008/4885MEN1 3480/4885
US-20200291003-A1 NOVEL SULFONAMIDE CARBOXAMIDE COMPOUNDS NLRP3, NOD1, NLRP1 ALDH1A1 754/4885EPHX1 1846/4885MEN1 4099/4885
US-20150141396-A1 PYRIMIDINE PYRAZOLYL DERIVATIVES DPYD, TYMS, DHFR ALDH1A1 125/4885EPHX1 1204/4885MEN1 3442/4885

“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.