SCHEMBL29537686

SCHEMBL29537686

O=C(Nc1ccc([C@H]2CCNC2)cc1)c1ccc2ccccc2n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 1/20 0.59
NFKB1 P19838 1/20 0.59
RAB9A P51151 1/20 0.59
NFKB2 Q00653 1/20 0.59
RELA Q04206 1/20 0.59
SMN1; SMN2 Q16637 1/20 0.59

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
SCHEMBL1990787 1.00 JAK3 (0.59) JAK3NFKB1RAB9ANFKB2RELA
Hydrochloric Acid SCHEMBL1991003 0.99 JAK3 (0.58) JAK3NFKB1RAB9ANFKB2RELA
Hydrochloric Acid SCHEMBL29376231 0.99 JAK3 (0.58) JAK3NFKB1RAB9ANFKB2RELA
SCHEMBL1996003 0.82
SCHEMBL29537783 0.82
Hydrochloric Acid SCHEMBL29373395 0.81
Hydrochloric Acid SCHEMBL1992209 0.81
SCHEMBL2024976 0.80 JAK3 (0.55) JAK3
Hydrochloric Acid SCHEMBL1989531 0.79 JAK3 (0.54) JAK3
SCHEMBL1992715 0.79 JAK3 (0.56) JAK3

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 5 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 claimed
EP-3187490-B1 SUBSTITUTED BENZAMIDE DERIVATIVES HOFFMANN LA ROCHE (CH) 2022-04-06 EP claimed
US-11697636-B2 Substituted benzamides HOFFMANN-LA ROCHE INC. (US) 2023-07-11 US disclosed
US-20220280527-A1 TRACE AMINE ASSOCIATED RECEPTOR 1 AGONISTS AND PARTIAL AGONISTS FOR PAIN TREATMENT PURDUE PHARMA L.P. (US) 2022-09-08 US disclosed
EP-3187490-B1 SUBSTITUTED BENZAMIDE DERIVATIVES HOFFMANN LA ROCHE (CH) 2022-04-06 EP 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-20220280527-A1 TRACE AMINE ASSOCIATED RECEPTOR 1 AGONISTS AND PARTIAL AGONISTS FOR PAIN TREATMENT TAAR1, TAAR5, OPRL1 JAK3 3173/4885NFKB1 3048/4885RAB9A 3282/4885
US-11697636-B2 Substituted benzamides TAAR1, TAAR5, NPY1R JAK3 2421/4885NFKB1 3354/4885RAB9A 1592/4885

“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.