SCHEMBL18940311

SCHEMBL18940311

Cc1nc(N2CCC(CNC(=O)O)C2)ccc1Br

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 2/20 0.43
P2RX7 Q99572 6/20 0.43
CKS1B P61024 3/20 0.40
SKP1 P63208 3/20 0.40
SKP2 Q13309 3/20 0.40
KDM4E B2RXH2 3/20 0.40
ALDH1A1 P00352 3/20 0.40
HPGD P15428 2/20 0.40
HSD17B10 Q99714 2/20 0.40
MAPT P10636 2/20 0.40
MCL1 Q07820 2/20 0.40
JAK2 O60674 1/20 0.40
JAK1 P23458 1/20 0.40
TYK2 P29597 1/20 0.40
JAK3 P52333 1/20 0.40
TSHR P16473 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
CHRM2 P08172 1/20 0.39
CHRM1 P11229 1/20 0.39
PPARA Q07869 1/20 0.39

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
SCHEMBL18940284 0.86 CKS1B (0.52) CKS1BSKP1SKP2ACACB
SCHEMBL23927779 0.86 CKS1B (0.52) CKS1BSKP1SKP2ACACB
SCHEMBL18940291 0.82 SMO (0.42) PTGER4JAK2JAK1TYK2JAK3
SCHEMBL10324203 0.80 HSD11B1 (0.46) JAK2JAK1TYK2JAK3HSD11B1
SCHEMBL16829641 0.80 JAK2 (0.43) PTGER4JAK2JAK1TYK2JAK3
SCHEMBL1749834 0.78 P2RX7 (0.46) PTGER4P2RX7CKS1BSKP1SKP2
SCHEMBL24669937 0.77 PDE10A (0.43) PTGER4JAK2JAK1TYK2JAK3
SCHEMBL30066438 0.77 PDE10A (0.43) PTGER4JAK2JAK1TYK2JAK3
SCHEMBL15515890 0.75 METAP2 (0.46) JAK2JAK1TYK2JAK3
SCHEMBL15509173 0.75 METAP2 (0.46) JAK2JAK1TYK2JAK3

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
EP-3082786-B1 ANTIDIABETIC SUBSTITUTED HETEROARYL COMPOUNDS MERCK SHARP & DOHME (US) 2021-10-27 EP disclosed
US-9834563-B2 Antidiabetic substituted heteroaryl compounds MERCK SHARP & DOHME CORP. (US) 2017-12-05 US disclosed
US-20170166578-A1 ANTIDIABETIC SUBSTITUTED HETEROARYL COMPOUNDS MERCK SHARP & DOHME LLC 2017-06-15 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-20170166578-A1 ANTIDIABETIC SUBSTITUTED HETEROARYL COMPOUNDS GPR119, GPR65, GPR55 PTGER4 599/4885P2RX7 957/4885CKS1B 3718/4885

“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.