SCHEMBL769767

SCHEMBL769767

CCC(=O)c1ccccc1NC(C)(C)C

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ELANE P08246 3/20 0.51
PRTN3 P24158 3/20 0.51
ALDH1A1 P00352 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
CLCN2 P51788 1/20 0.41
HSP90AB1 P08238 1/20 0.41
IDO1 P14902 1/20 0.40
PDK2 Q15119 1/20 0.39
KDM4E B2RXH2 1/20 0.39
LMNA P02545 1/20 0.39
HPGD P15428 1/20 0.39
MAPT P10636 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CXCR2 P25025 1/20 0.38
KMT2A Q03164 1/20 0.38
RXFP1 Q9HBX9 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
SCHEMBL7959032 0.79 ALDH1A1 (0.45) ELANEPRTN3ALDH1A1SMN1; SMN2NPC1
SCHEMBL605325 0.79 KDM4E (0.58) ELANEPRTN3ALDH1A1SMN1; SMN2NPC1
SCHEMBL13788818 0.79 PDK1 (0.54) ELANEPRTN3IDO1PDK2KDM4E
SCHEMBL1906473 0.79 CLCN2 (0.53) ALDH1A1RAB9ACLCN2KDM4ELMNA
SCHEMBL7223562 0.78 MAPT (0.51) ALDH1A1SMN1; SMN2NPC1RAB9AHSP90AB1
SCHEMBL7223232 0.78 KDM4E (0.54) ALDH1A1SMN1; SMN2NPC1RAB9ACLCN2
Hydrochloric Acid SCHEMBL8584876 0.78 KDM4E (0.56) ELANEPRTN3ALDH1A1SMN1; SMN2NPC1
SCHEMBL13623623 0.78 ALDH1A1 (0.64) ALDH1A1SMN1; SMN2NPC1RAB9AKDM4E
SCHEMBL4184556 0.78 KDM4E (0.46) ELANEPRTN3ALDH1A1SMN1; SMN2NPC1
SCHEMBL7224966 0.77 ADRA1D (0.51) ALDH1A1CLCN2HPGDMAPTCXCR2

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-10919841-B2 Monoamine reuptake inhibitors RESEARCH TRIANGLE INSTITUTE (US) 2021-02-16 US disclosed
US-20180215701-A1 MONOAMINE REUPTAKE INHIBITORS RES TRIANGLE INST (US) 2018-08-02 US disclosed
US-9562001-B2 Monoamine reuptake inhibitors RESEARCH TRIANGLE INSTITUTE (US) 2017-02-07 US disclosed
US-20120071560-A1 MONOAMINE REUPTAKE INHIBITORS RESEARCH TRIANGLE INSTITUTE 2012-03-22 US disclosed
EP-1499301-A2 METHOD OF STABILIZING BUPROPION HYDROCHLORIDE TABLETS RANBAXY LABORATORIES, LTD. (IN) 2005-01-26 EP disclosed
WO-2003086362-A2 METHOD OF STABILIZING BUPROPION HYDROCHLORIDE TABLETS RANBAXY LABORATORIES LIMITED (IN) 2003-10-23 WO disclosed
EP-0415613-B1 Use of sertraline for the treatment of premature ejaculation PFIZER (US) 1994-09-07 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 (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-20120071560-A1 MONOAMINE REUPTAKE INHIBITORS SLC6A2, SLC6A4, SLC6A3 ELANE 3828/4885PRTN3 1783/4885ALDH1A1 521/4885
US-10919841-B2 Monoamine reuptake inhibitors SLC6A2, SLC6A4, SLC6A3 ELANE 3828/4885PRTN3 1783/4885ALDH1A1 521/4885
US-20180215701-A1 MONOAMINE REUPTAKE INHIBITORS SLC6A2, SLC6A4, SLC6A3 ELANE 3828/4885PRTN3 1783/4885ALDH1A1 521/4885

“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.