SCHEMBL3670041

SCHEMBL3670041

O=C(O)[C@@H]1CCC[C@@H](O)C1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 1/20 0.42
BTK Q06187 1/20 0.42
TSHR P16473 4/20 0.41
SLC6A1 P30531 2/20 0.41
SLC6A11 P48066 1/20 0.41
LMNA P02545 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
SLC6A13 Q9NSD5 1/20 0.41
GABRR1 P24046 1/20 0.40
EPHX2 P34913 1/20 0.40
ACE P12821 1/20 0.38
GABRP O00591 1/20 0.37
GABRD O14764 1/20 0.37
GABRA1 P14867 1/20 0.37
GABRB1 P18505 1/20 0.37
GABRG2 P18507 1/20 0.37
GABRB3 P28472 1/20 0.37
GABRA5 P31644 1/20 0.37
GABRA3 P34903 1/20 0.37
GABRA2 P47869 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
SCHEMBL2844280 1.00 ANPEP (0.42) ANPEPBTKTSHRSLC6A1SLC6A11
SCHEMBL22100987 1.00 ANPEP (0.42) ANPEPBTKTSHRSLC6A1SLC6A11
SCHEMBL3939408 1.00 ANPEP (0.42) ANPEPBTKTSHRSLC6A1SLC6A11
SCHEMBL2183635 1.00 ANPEP (0.42) ANPEPBTKTSHRSLC6A1SLC6A11
SCHEMBL4748647 1.00 ANPEP (0.42) ANPEPBTKTSHRSLC6A1SLC6A11
SCHEMBL404285 1.00 ANPEP (0.42) ANPEPBTKTSHRSLC6A1SLC6A11
SCHEMBL5432415 1.00 ANPEP (0.42) ANPEPBTKTSHRSLC6A1SLC6A11
SCHEMBL5428215 0.98 ANPEP (0.41) ANPEPBTKTSHRSLC6A1SLC6A11
Cesium SCHEMBL5428219 0.98 ANPEP (0.41) ANPEPBTKTSHRSLC6A1SLC6A11
SCHEMBL9729349 0.95 TSHR (0.43) ANPEPBTKTSHRSLC6A1SLC6A11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022174882-A1 5-MEMBERED HETEROCYCLYL CARBAMATE DERIVATIVES AS DUAL LPA RECEPTOR 1 AND LPA RECEPTOR 2 INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2022-08-25 WO disclosed
EP-2391611-A1 THIADIAZOLE AND OXADIAZOLE DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF SANOFI (FR) 2011-12-07 EP disclosed
WO-2010086551-A1 THIADIAZOLE AND OXADIAZOLE DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2010-08-05 WO disclosed
WO-2008119715-A1 1- (1-CYCLOHEXYL-4-PIPERIDINYL) -1, 3-DIHYDRO-2H-BENZIMIDAZOL-2-ONE DERIVATIVES WHICH HAVE ACTIVITY ON THE M1 RECEPTOR AND THEIR USE IN MEDICINE GLAXO GROUP LIMITED (GB) 2008-10-09 WO disclosed
US-20070197788-A1 METHOD FOR THE PREPARATION OF ENANTIOMER FORMS OF CIS-CONFIGURED 3-HYDROXYCYCLOHEXANE CARBOXYLIC ACID DERIVATIVES USING HYDROLASES SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2007-08-23 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-20070197788-A1 METHOD FOR THE PREPARATION OF ENANTIOMER FORMS OF CIS-CONFIGURED 3-HYDROXYCYCLOHEXANE CARBOXYLIC ACID DERIVATIVES USING HYDROLASES CES1, COASY, CYP51A1 ANPEP 652/4885BTK 4808/4885TSHR 3448/4885

“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.