SCHEMBL29536854

SCHEMBL29536854

CCN1CC[C@H](c2ccc(NC(=O)c3ccc(Cl)cc3)cc2)C1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 1/20 0.55
▸ LMNA P02545 2/20 0.53
▸ MAPT P10636 2/20 0.53
▸ NPC1 O15118 2/20 0.51
▸ RAB9A P51151 2/20 0.51
▸ KDM1A O60341 2/20 0.51
▸ MAOA P21397 2/20 0.51
▸ KDM1B Q8NB78 2/20 0.51
▸ RCOR1 Q9UKL0 2/20 0.51
▸ TP53 P04637 1/20 0.51
▸ NFKB1 P19838 1/20 0.51
▸ NFKB2 Q00653 1/20 0.51
▸ RELA Q04206 1/20 0.51
▸ SMN1; SMN2 Q16637 1/20 0.51
▸ HDAC3 O15379 1/20 0.50
▸ HDAC11 Q96DB2 1/20 0.50
▸ HDAC8 Q9BY41 1/20 0.50
▸ HDAC6 Q9UBN7 1/20 0.50
▸ DRD2 P14416 1/20 0.49

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
SCHEMBL1987913 1.00 HRH3 (0.55) HRH3LMNAMAPTNPC1RAB9A
SCHEMBL29536946 0.85 KDM1A (0.62) HRH3LMNAMAPTNPC1RAB9A
SCHEMBL1993714 0.85 KDM1A (0.62) HRH3LMNAMAPTNPC1RAB9A
SCHEMBL2000186 0.85 HDAC3 (0.61) LMNAMAPTNPC1RAB9ATP53
SCHEMBL25248604 0.84 NPC1 (0.56) NPC1RAB9A
SCHEMBL2020366 0.82 LMNA (0.56) LMNAMAPTNPC1RAB9ATP53
SCHEMBL5583030 0.80 KDM1A (0.67) HRH3RAB9AKDM1AMAOAKDM1B
SCHEMBL1991891 0.79 LMNA (0.68) LMNAMAPTNPC1RAB9ATP53
SCHEMBL27922223 0.79 HRH3 (0.51) HRH3LMNAMAPTNPC1RAB9A
SCHEMBL502898 0.78 TP53 (0.59) HRH3LMNAMAPTNPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3187490-B1 SUBSTITUTED BENZAMIDE DERIVATIVES HOFFMANN LA ROCHE (CH) 2022-04-06 — — EP claimed
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 (1 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 HRH3 331/4885LMNA 4271/4885MAPT 678/4885

“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.

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