SCHEMBL4746240

SCHEMBL4746240

CC(C)(C(=O)O)N1CCN(Cc2ccccc2)CC1

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 5/20 0.60
ALDH1A1 P00352 5/20 0.58
LMNA P02545 3/20 0.58
KMT2A Q03164 2/20 0.58
OPRM1 P35372 2/20 0.56
MC4R P32245 1/20 0.56
MEN1 O00255 1/20 0.56
POLB P06746 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
KDM4E B2RXH2 1/20 0.53
HDAC4 P56524 1/20 0.53
KCNH2 Q12809 1/20 0.53
HDAC1 Q13547 1/20 0.53
FAAH O00519 1/20 0.51

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
SCHEMBL6494216 0.88 SIGMAR1 (0.55) SIGMAR1ALDH1A1LMNAKMT2AOPRM1
SCHEMBL5201072 0.87 SIGMAR1 (0.56) SIGMAR1ALDH1A1LMNAKMT2AOPRM1
Hydrochloric Acid SCHEMBL6493300 0.86 SIGMAR1 (0.55) SIGMAR1ALDH1A1LMNAKMT2AOPRM1
SCHEMBL27152536 0.84 MEN1 (0.57) SIGMAR1KMT2AMEN1POLBKCNH2
Hydrochloric Acid SCHEMBL27148001 0.83 KCNH2 (0.56) SIGMAR1KMT2AMEN1POLBKCNH2
SCHEMBL855234 0.82 SIGMAR1 (0.69) SIGMAR1ALDH1A1LMNAKMT2AMC4R
SCHEMBL18458295 0.82 SIGMAR1 (0.56) SIGMAR1ALDH1A1LMNAKMT2AOPRM1
SCHEMBL20599143 0.82 FAAH (0.62) SIGMAR1KMT2AMEN1POLBKDM4E
Hydrochloric Acid SCHEMBL4074661 0.81 SIGMAR1 (0.67) SIGMAR1ALDH1A1LMNAKMT2AOPRM1
SCHEMBL16826730 0.80 SIGMAR1 (0.64) SIGMAR1ALDH1A1LMNAKMT2AOPRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10428051-B2 Substituted amide derivatives having multimodal activity against pain ESTEVE PHARMACEUTICALS, S.A. (ES) 2019-10-01 US disclosed
US-10428051-B2 Substituted amide derivatives having multimodal activity against pain ESTEVE PHARMACEUTICALS, S.A. (ES) 2019-10-01 US disclosed
EP-3328853-B1 SUBSTITUTED AMIDE DERIVATIVES HAVING MULTIMODAL ACTIVITY AGAINST PAIN ESTEVE PHARMACEUTICALS SA (ES) 2019-09-11 EP disclosed
EP-3328853-B1 SUBSTITUTED AMIDE DERIVATIVES HAVING MULTIMODAL ACTIVITY AGAINST PAIN ESTEVE PHARMACEUTICALS SA (ES) 2019-09-11 EP disclosed
US-20190002443-A1 SUBSTITUTED AMIDE DERIVATIVES HAVING MULTIMODAL ACTIVITY AGAINST PAIN ESTEVE PHARMACEUTICALS, S.A. (ES) 2019-01-03 US disclosed
US-20190002443-A1 SUBSTITUTED AMIDE DERIVATIVES HAVING MULTIMODAL ACTIVITY AGAINST PAIN ESTEVE PHARMACEUTICALS, S.A. (ES) 2019-01-03 US disclosed
WO-2017016669-A1 SUBSTITUTED AMIDE DERIVATIVES HAVING MULTIMODAL ACTIVITY AGAINST PAIN LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2017-02-02 WO disclosed
WO-2008107320-A1 PIPERIDINE AND PIPERAZINE DERIVATIVES USED AS ANTI-NEOPLASIC AGENTS OR CELL PROLIFERATION INHIBITORS CEREP (FR) 2008-09-12 WO 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-10428051-B2 Substituted amide derivatives having multimodal activity against pain OPRM1, OPRD1, OPRK1 SIGMAR1 5/4885ALDH1A1 1946/4885LMNA 4241/4885
US-20190002443-A1 SUBSTITUTED AMIDE DERIVATIVES HAVING MULTIMODAL ACTIVITY AGAINST PAIN OPRM1, OPRD1, OPRK1 SIGMAR1 5/4885ALDH1A1 1946/4885LMNA 4241/4885

“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.