SCHEMBL16412829

SCHEMBL16412829

CC(C)(C)OC(=O)Cn1c(=O)oc2ccc(CC(=O)NC(CN3CCCC3)c3ccccc3)cc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 5/20 0.42
▸ HTT P42858 2/20 0.40
▸ HPGD P15428 1/20 0.40
▸ OPRK1 P41145 1/20 0.39
▸ KMT2A Q03164 3/20 0.38
▸ TP53 P04637 2/20 0.38
▸ POLB P06746 3/20 0.38
▸ MAPT P10636 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ GPR88 Q9GZN0 1/20 0.37
▸ CBX7 O95931 1/20 0.37
▸ RECQL P46063 1/20 0.37
▸ CDYL2 Q8N8U2 1/20 0.37
▸ CDYL Q9Y232 1/20 0.37
▸ CDY1; CDY1B Q9Y6F8 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37

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
SCHEMBL16412445 1.00 SMN1; SMN2 (0.42) SMN1; SMN2HTTHPGDOPRK1KMT2A
SCHEMBL16419250 0.88 SMN1; SMN2 (0.43) SMN1; SMN2HTTHPGDOPRK1KMT2A
SCHEMBL20558496 0.88 SMN1; SMN2 (0.43) SMN1; SMN2HTTHPGDOPRK1KMT2A
SCHEMBL16412979 0.87 OPRK1 (0.48) OPRK1TP53POLBMAPTCYP1A2
Hydrochloric Acid SCHEMBL16412539 0.87 SMN1; SMN2 (0.42) SMN1; SMN2HTTHPGDOPRK1KMT2A
Hydrochloric Acid SCHEMBL16412541 0.87 SMN1; SMN2 (0.42) SMN1; SMN2HTTHPGDOPRK1KMT2A
SCHEMBL15380225 0.85 SMN1; SMN2 (0.39) SMN1; SMN2OPRK1KMT2ATP53POLB
SCHEMBL10083029 0.85 SMN1; SMN2 (0.39) SMN1; SMN2OPRK1KMT2ATP53POLB
SCHEMBL16413311 0.83 OPRK1 (0.41) SMN1; SMN2OPRK1TP53GPR88CYP1A2
SCHEMBL16413309 0.83 OPRK1 (0.41) SMN1; SMN2OPRK1TP53GPR88CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170001998-A1 SUBSTITUTED HETEROCYCLIC ACETAMIDES AS KAPPA OPIOID RECEPTOR (KOR) AGONISTS DR. REDDY'S LABORATORIES, LTD. (IN) 2017-01-05 — — US claimed
US-20150031685-A1 SUBSTITUTED HETEROCYCLIC ACETAMIDES AS KAPPA OPIOID RECEPTOR (KOR) AGONISTS Dr. Reeddy's Laboratories Ltd. (IN) 2015-01-29 — — US claimed
US-10131655-B2 Substituted heterocyclic acetamides as kappa opioid receptor (KOR) agonists DR. REDDY'S LABORATORIES, LTD. (IN) 2018-11-20 — — US disclosed
EP-2822928-B1 SUBSTITUTED HETEROCYCLIC ACETAMIDES AS KAPPA OPIOID RECEPTOR (KOR) AGONISTS Dr Reddys Laboratories Ltd (IN) 2018-11-14 — — EP disclosed
US-20170001998-A1 SUBSTITUTED HETEROCYCLIC ACETAMIDES AS KAPPA OPIOID RECEPTOR (KOR) AGONISTS DR. REDDY'S LABORATORIES, LTD. (IN) 2017-01-05 — — US disclosed
US-9487510-B2 Substituted heterocyclic acetamides as kappa opioid receptor (KOR) agonists DR. REDDY'S LABORATORIES LTD. (IN) 2016-11-08 — — US disclosed
US-20150031685-A1 SUBSTITUTED HETEROCYCLIC ACETAMIDES AS KAPPA OPIOID RECEPTOR (KOR) AGONISTS Dr. Reeddy's Laboratories Ltd. (IN) 2015-01-29 — — 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-20150031685-A1 SUBSTITUTED HETEROCYCLIC ACETAMIDES AS KAPPA OPIOID RECEPTOR (KOR) AGONISTS OPRK1, OPRL1, OPRD1 SMN1; SMN2 1098/4885HTT 2839/4885HPGD 957/4885
US-20170001998-A1 SUBSTITUTED HETEROCYCLIC ACETAMIDES AS KAPPA OPIOID RECEPTOR (KOR) AGONISTS OPRK1, OPRL1, OPRD1 SMN1; SMN2 1107/4885HTT 2847/4885HPGD 941/4885
US-10131655-B2 Substituted heterocyclic acetamides as kappa opioid receptor (KOR) agonists OPRK1, OPRL1, OPRD1 SMN1; SMN2 1107/4885HTT 2847/4885HPGD 941/4885

“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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