Sugi Predict

Sugi Predict / Compounds / SCHEMBL1999202

SCHEMBL1999202

SCHEMBL1999202

O=C(Nc1ccc(N2CCNCC2)cc1)c1ccc(Cl)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPKAPK2 P49137 7/20 0.65
▸ IRAK4 Q9NWZ3 1/20 0.65
▸ HTR3E A5X5Y0 1/20 0.61
▸ HTR3B O95264 1/20 0.61
▸ ADRB1 P08588 1/20 0.61
▸ HTR3A P46098 1/20 0.61
▸ HTR3D Q70Z44 1/20 0.61
▸ HTR3C Q8WXA8 1/20 0.61
▸ SIGMAR1 Q99720 1/20 0.61
▸ MAPT P10636 4/20 0.57
▸ ALDH1A1 P00352 1/20 0.57
▸ NPC1 O15118 4/20 0.57
▸ RAB9A P51151 4/20 0.57
▸ SMN1; SMN2 Q16637 4/20 0.57
▸ KMT2A Q03164 2/20 0.57
▸ LMNA P02545 2/20 0.57
▸ USP2 O75604 1/20 0.57
▸ KDM4E B2RXH2 1/20 0.57
▸ MEN1 O00255 1/20 0.57
▸ MCL1 Q07820 1/20 0.57

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
Hydrochloric Acid SCHEMBL2000045 0.99 MAPKAPK2 (0.64) MAPKAPK2IRAK4HTR3EHTR3BADRB1
SCHEMBL24891825 0.93 RAB9A (0.64) MAPTALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL8769785 0.89 RAB9A (0.59) MAPTALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL1663115 0.89 ALDH1A1 (0.66) MAPTALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL17801122 0.86 NPC1 (0.75) MAPTALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL532678 0.86 MAPT (0.74) MAPKAPK2MAPTALDH1A1NPC1RAB9A
SCHEMBL5084566 0.86 USP2 (0.66) HTR3EHTR3BADRB1HTR3AHTR3D
SCHEMBL24670140 0.85 NPC1 (0.76) MAPTALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL28778482 0.84 NPC1 (0.60) MAPKAPK2HTR3EHTR3BADRB1HTR3A
SCHEMBL29769959 0.84 NPC1 (0.60) MAPKAPK2HTR3EHTR3BADRB1HTR3A

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 30 patents — showing the first 20. 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-20210061760-A1 SUBSTITUTED BENZAMIDES HOFFMANN LA ROCHE (US) 2021-03-04 — — US claimed
US-20200048194-A1 SUBSTITUTED BENZAMIDES F. HOFFMANN-LA ROCHE AG (CH) 2020-02-13 — — US claimed
EP-3187490-A1 SUBSTITUTED BENZAMIDE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2017-07-05 — — EP claimed
EP-2516392-A1 SUBSTITUTED BENZAMIDE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2012-10-31 — — EP claimed
WO-2011076678-A1 SUBSTITUTED BENZAMIDE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2011-06-30 — — WO claimed
US-20110152245-A1 SUBSTITUTED BENZAMIDES F. HOFFMANN-LA ROCHE AG (CH) 2011-06-23 — — US claimed
US-11697636-B2 Substituted benzamides HOFFMANN-LA ROCHE INC. (US) 2023-07-11 — — US disclosed
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
US-20210061760-A1 SUBSTITUTED BENZAMIDES HOFFMANN LA ROCHE (US) 2021-03-04 — — US disclosed
US-20210061760-A1 SUBSTITUTED BENZAMIDES HOFFMANN LA ROCHE (US) 2021-03-04 — — 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
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
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 (6 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 MAPKAPK2 3751/4885IRAK4 2884/4885HTR3E 241/4885
US-20220280527-A1 TRACE AMINE ASSOCIATED RECEPTOR 1 AGONISTS AND PARTIAL AGONISTS FOR PAIN TREATMENT TAAR1, TAAR5, OPRL1 MAPKAPK2 737/4885IRAK4 1524/4885HTR3E 364/4885
US-20210061760-A1 SUBSTITUTED BENZAMIDES TAAR1, TAAR5, NPY1R MAPKAPK2 3751/4885IRAK4 2884/4885HTR3E 241/4885
US-20110152245-A1 SUBSTITUTED BENZAMIDES TAAR1, TAAR5, NPY1R MAPKAPK2 3751/4885IRAK4 2884/4885HTR3E 241/4885
US-20200048194-A1 SUBSTITUTED BENZAMIDES TAAR1, TAAR5, NPY1R MAPKAPK2 3751/4885IRAK4 2884/4885HTR3E 241/4885
US-11697636-B2 Substituted benzamides TAAR1, TAAR5, NPY1R MAPKAPK2 3751/4885IRAK4 2884/4885HTR3E 241/4885

“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.