SCHEMBL18045339

SCHEMBL18045339

COC(=O)[C@H]1[C@@H](CI)CCN1Cc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.43
MAPT P10636 1/20 0.43
HPGD P15428 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
HSD17B10 Q99714 1/20 0.43
FKBP1A P62942 1/20 0.43
SIGMAR1 Q99720 5/20 0.42
GBA1 P04062 1/20 0.42
SLC6A3 Q01959 1/20 0.40

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
SCHEMBL17068139 0.83 POLB (0.48) ALDH1A1MAPTHPGDNPSR1HSD17B10
SCHEMBL20612845 0.83 POLB (0.48) ALDH1A1MAPTHPGDNPSR1HSD17B10
Hydrochloric Acid SCHEMBL10692531 0.82 GBA1 (0.53) ALDH1A1MAPTHPGDNPSR1HSD17B10
Hydrochloric Acid SCHEMBL6951430 0.82 GBA1 (0.53) ALDH1A1MAPTHPGDNPSR1HSD17B10
SCHEMBL18045353 0.81 FKBP1A (0.39) ALDH1A1MAPTHPGDNPSR1HSD17B10
SCHEMBL18070759 0.81 FKBP1A (0.39) ALDH1A1MAPTHPGDNPSR1HSD17B10
SCHEMBL2768950 0.78 FKBP1A (0.54) ALDH1A1MAPTHPGDNPSR1HSD17B10
SCHEMBL980704 0.75 HTR1A (0.40) ALDH1A1MAPTHPGDNPSR1HSD17B10
SCHEMBL980703 0.75 HTR1A (0.40) ALDH1A1MAPTHPGDNPSR1HSD17B10
SCHEMBL28878129 0.74 ALDH1A1 (0.43) ALDH1A1MAPTHPGDNPSR1HSD17B10

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-3268366-A1 (INDAZOL-4-YL)HEXAHYDROPYRROLOPYRROLONES AND METHOD OF USE AbbVie Inc. (US) 2018-01-17 EP disclosed
US-9682985-B2 (Indazol-4-yl) hexahydropyrrolopyrrolones and methods of use ABBVIE INC. (US) 2017-06-20 US disclosed
WO-2016149169-A1 (INDAZOL-4-YL)HEXAHYDROPYRROLOPYRROLONES AND METHOD OF USE ABBVIE INC. (US) 2016-09-22 WO disclosed
US-20160264582-A1 (Indazol-4-YL) Hexahydropyrrolopyrrolones and Methods of Use ABBVIE INC. (US) 2016-09-15 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 (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-20160264582-A1 (Indazol-4-YL) Hexahydropyrrolopyrrolones and Methods of Use CACNA1D, CACNA1S, KCNJ11 ALDH1A1 541/4885MAPT 4551/4885HPGD 2047/4885

“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.