Sugi Predict

Sugi Predict / Compounds / SCHEMBL19632895

SCHEMBL19632895

SCHEMBL19632895

CC1N(C)C(=O)CC1(c1ccccc1)c1ccc(O)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.39
▸ ALDH1A1 P00352 2/20 0.38
▸ AKR1B1 P15121 1/20 0.38
▸ ESR1 P03372 2/20 0.37
▸ ESR2 Q92731 2/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ GFER P55789 1/20 0.37
▸ HSD17B2 P37059 1/20 0.36
▸ NPY1R P25929 1/20 0.36
▸ MEN1 O00255 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ TP53 P04637 1/20 0.35
▸ TYMS P04818 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ ALOX15 P16050 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35

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
SCHEMBL19633193 0.91 ALDH1A1 (0.40) ALDH1A1GAATSHRKMT2ABACE1
SCHEMBL19617143 0.71 KCNH2 (0.38) ALDH1A1GAALMNASMN1; SMN2KCNH2
SCHEMBL6560821 0.71 KCNH2 (0.52) MAPTALDH1A1AKR1B1ESR1ESR2
SCHEMBL8550616 0.64 OPRM1 (0.43) GAAGRIN2BKCNH2OPRM1OPRD1
SCHEMBL12893253 0.60 ESR2 (0.42) MAPTALDH1A1AKR1B1ESR1ESR2
SCHEMBL30738223 0.60 ESR1 (0.67) MAPTAKR1B1ESR1ESR2MEN1
SCHEMBL24997092 0.60 LMNA (0.41) MAPTALDH1A1AKR1B1ESR1ESR2
SCHEMBL14679680 0.59 MEN1 (0.78) MAPTALDH1A1AKR1B1ESR1ESR2
SCHEMBL8845508 0.59 MAOB (0.45) KCNH2
Phosphine SCHEMBL28692039 0.57 MAOB (0.43) KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3458439-B1 2-ETHYLIDENE-1,5-DIMETHYL-3,3-DIPHENYLPYRROLIDINE ANALOGS AND METHODS FOR THEIR SYNTHESIS AND USE ALERE SAN DIEGO INC (US) 2021-12-08 — — EP disclosed
US-11192857-B2 2-ethylidene-1,5-dimethyl-3,3-diphenylpyrrolidine analogs and methods for their synthesis and use ALERE SAN DIEGO, INC. (US) 2021-12-07 — — US disclosed
US-20190292148-A1 2-ETHYLIDENE-1,5-DIMETHYL-3,3-DIPHENYLPYRROLIDINE ANALOGS AND METHODS FOR THEIR SYNTHESIS AND USE ALERE SAN DIEGO, INC. (US) 2019-09-26 — — US disclosed
WO-2017201314-A1 2-ETHYLIDENE-1,5-DIMETHYL-3,3-DIPHENYLPYRROLIDINE ANALOGS AND METHODS FOR THEIR SYNTHESIS AND USE ALERE SAN DIEGO, INC. (US) 2017-11-23 — — 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-11192857-B2 2-ethylidene-1,5-dimethyl-3,3-diphenylpyrrolidine analogs and methods for their synthesis and use DPYSL2, DNPEP, DPYSL3 MAPT 3104/4885ALDH1A1 3397/4885AKR1B1 4523/4885
US-20190292148-A1 2-ETHYLIDENE-1,5-DIMETHYL-3,3-DIPHENYLPYRROLIDINE ANALOGS AND METHODS FOR THEIR SYNTHESIS AND USE DPYSL2, DNPEP, DPYSL3 MAPT 3104/4885ALDH1A1 3397/4885AKR1B1 4523/4885

“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.