SCHEMBL21085159

SCHEMBL21085159

CC(C(=O)O)C1C[CH]CCC1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACE P12821 1/20 0.33
SMN1; SMN2 Q16637 4/20 0.32
NPSR1 Q6W5P4 1/20 0.32
GABRA1 P14867 3/20 0.32
GABRA5 P31644 3/20 0.32
GABRB2 P47870 3/20 0.32
GABRR1 P24046 2/20 0.32
ALDH1A1 P00352 1/20 0.32
GABRA4 P48169 1/20 0.32
PTGS1 P23219 2/20 0.31
PTGS2 P35354 2/20 0.31
NPC1 O15118 2/20 0.31
RAB9A P51151 2/20 0.31
TSHR P16473 1/20 0.31
HPGD P15428 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30
HIF1A Q16665 1/20 0.30
S1PR1 P21453 1/20 0.30
S1PR3 Q99500 1/20 0.30

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
SCHEMBL3339255 0.79 GABRA1 (0.35) ACEGABRA1GABRA5GABRB2GABRR1
SCHEMBL17628753 0.77 ACE (0.43) ACESMN1; SMN2GABRA1GABRA5GABRB2
SCHEMBL417582 0.77 ACE (0.43) ACESMN1; SMN2GABRA1GABRA5GABRB2
SCHEMBL22401388 0.77
SCHEMBL9307 0.77 ACE (0.43) ACESMN1; SMN2GABRA1GABRA5GABRB2
SCHEMBL1931826 0.77
SCHEMBL4392382 0.74
SCHEMBL1188709 0.74 EPHX1 (0.44) ACESMN1; SMN2GABRA1GABRA5GABRB2
Cyclohexane SCHEMBL18344237 0.74 EPHX1 (0.44) ACESMN1; SMN2GABRA1GABRA5GABRB2
SCHEMBL1595664 0.74 EPHX1 (0.44) ACESMN1; SMN2GABRA1GABRA5GABRB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10759749-B2 Therapeutic agent for diabetes JCR PHARMACEUTICALS CO., LTD. (JP) 2020-09-01 US disclosed
EP-3508474-A1 NOVEL THERAPEUTIC AGENT FOR DIABETES JCR Pharmaceuticals Co., Ltd. (JP) 2019-07-10 EP disclosed
US-20190202781-A1 NOVEL THERAPEUTIC AGENT FOR DIABETES JCR PHARMACEUTICALS CO., LTD. (JP) 2019-07-04 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 (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-20190202781-A1 NOVEL THERAPEUTIC AGENT FOR DIABETES GPR119, IAPP, DPP4 ACE 2400/4885SMN1; SMN2 3948/4885NPSR1 3524/4885
US-10759749-B2 Therapeutic agent for diabetes GPR119, IAPP, DPP4 ACE 1324/4885SMN1; SMN2 3104/4885NPSR1 3695/4885

“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.