SCHEMBL1990761

SCHEMBL1990761

C[C@@]1(c2ccc(N)cc2)CC(=O)N(Cc2ccccc2)C1=O

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 5/20 0.57
ELANE P08246 3/20 0.49
GRM2 Q14416 1/20 0.44
CTSG P08311 1/20 0.43
PRTN3 P24158 1/20 0.43
PTGDR2 Q9Y5Y4 1/20 0.43
NPSR1 Q6W5P4 1/20 0.41
ALDH1A1 P00352 1/20 0.40
TSHR P16473 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CYP2C19 P33261 2/20 0.40
GSK3A P49840 1/20 0.40
GSK3B P49841 1/20 0.40

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
SCHEMBL1990759 1.00 CYP19A1 (0.57) CYP19A1ELANEGRM2CTSGPRTN3
SCHEMBL24126788 0.90 ELANE (0.56) ELANEGRM2CTSGPRTN3PTGDR2
SCHEMBL984328 0.80 CYP19A1 (0.52) CYP19A1ELANECTSGPTGDR2GSK3A
SCHEMBL41550 0.79 MEN1 (0.50) PTGDR2ALDH1A1GSK3AGSK3B
SCHEMBL2257976 0.76 ELANE (0.61) ELANECTSGPRTN3PTGDR2NPSR1
SCHEMBL986554 0.76 SLC6A2 (0.47) CYP19A1ELANEGRM2PTGDR2
SCHEMBL14037658 0.75 CYP19A1 (0.47) CYP19A1ELANEGRM2TSHRCYP2C19
SCHEMBL7932603 0.74 ELANE (0.57) ELANECTSGPRTN3PTGDR2NPSR1
SCHEMBL8416125 0.73 ELANE (0.55) CYP19A1ELANECTSGPRTN3PTGDR2
SCHEMBL1352319 0.73 ELANE (0.59) ELANECTSGPRTN3NPSR1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11697636-B2 Substituted benzamides HOFFMANN-LA ROCHE INC. (US) 2023-07-11 US disclosed
EP-3187490-B1 SUBSTITUTED BENZAMIDE DERIVATIVES HOFFMANN LA ROCHE (CH) 2022-04-06 EP disclosed
US-20210061760-A1 SUBSTITUTED BENZAMIDES HOFFMANN LA ROCHE (US) 2021-03-04 US disclosed
US-20200048194-A1 SUBSTITUTED BENZAMIDES F. HOFFMANN-LA ROCHE AG (CH) 2020-02-13 US disclosed
EP-3187490-A1 SUBSTITUTED BENZAMIDE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2017-07-05 EP disclosed
US-9452980-B2 Substituted benzamides HOFFMANN-LA ROCHE INC. (US) 2016-09-27 US disclosed
US-20160264596-A1 SUBSTITUTED BENZAMIDES HOFFMANN-LA ROCHE INC. 2016-09-15 US disclosed
EP-2516392-A1 SUBSTITUTED BENZAMIDE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2012-10-31 EP disclosed
WO-2011076678-A1 SUBSTITUTED BENZAMIDE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2011-06-30 WO disclosed
US-20110152245-A1 SUBSTITUTED BENZAMIDES F. HOFFMANN-LA ROCHE AG (CH) 2011-06-23 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 (5 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-20160264596-A1 SUBSTITUTED BENZAMIDES TAAR1, TAAR5, NPY1R CYP19A1 356/4885ELANE 4135/4885GRM2 383/4885
US-20210061760-A1 SUBSTITUTED BENZAMIDES TAAR1, TAAR5, NPY1R CYP19A1 356/4885ELANE 4135/4885GRM2 383/4885
US-20110152245-A1 SUBSTITUTED BENZAMIDES TAAR1, TAAR5, NPY1R CYP19A1 356/4885ELANE 4135/4885GRM2 383/4885
US-20200048194-A1 SUBSTITUTED BENZAMIDES TAAR1, TAAR5, NPY1R CYP19A1 356/4885ELANE 4135/4885GRM2 383/4885
US-11697636-B2 Substituted benzamides TAAR1, TAAR5, NPY1R CYP19A1 356/4885ELANE 4135/4885GRM2 383/4885

“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.