SCHEMBL21481807

SCHEMBL21481807

CCOC(=O)CC1CCC(NC(=O)c2ccc(Cl)c3cn[nH]c23)CC1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CRHR1 P34998 15/20 0.41
▸ PAK1 Q13153 3/20 0.40
▸ CRHR2 Q13324 2/20 0.40
▸ MEN1 O00255 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ JAK2 O60674 1/20 0.37
▸ JAK1 P23458 1/20 0.37
▸ TYK2 P29597 1/20 0.37
▸ JAK3 P52333 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
SCHEMBL21485550 0.81 CD38 (0.47) CRHR1CRHR2
SCHEMBL21506248 0.80 PAK1 (0.43) PAK1
SCHEMBL21481785 0.78 PAK1 (0.45) CRHR1PAK1
SCHEMBL21506732 0.76 CRHR1 (0.40) CRHR1CRHR2
SCHEMBL24991869 0.75 PKM (0.38) MEN1ALDH1A1KMT2A
SCHEMBL22927154 0.74 JAK1 (0.44) CRHR1MEN1ALDH1A1KMT2AL3MBTL1
SCHEMBL21506745 0.71 TNF (0.38) PAK1KMT2A
SCHEMBL228958 0.70 DRD2 (0.52) MEN1KMT2A
SCHEMBL224991 0.70 DRD2 (0.52) MEN1KMT2A
Hydrochloric Acid SCHEMBL224992 0.69 DRD2 (0.51) MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190315712-A1 BICYCLIC CARBOXAMIDES AND METHODS OF USE THEREOF TEMPEST THERAPEUTICS, INC. 2019-10-17 — — 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-20190315712-A1 BICYCLIC CARBOXAMIDES AND METHODS OF USE THEREOF PTGER4, PTGER2, CNR2 CRHR1 87/4885PAK1 1555/4885CRHR2 27/4885

“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.

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