SCHEMBL19078697

SCHEMBL19078697

O=C(N1CCCC1)n1cc(-c2ccc(-c3ccccc3CO)cc2)cn1

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CCNC P24863 3/20 0.39
▸ CDK8 P49336 3/20 0.39
▸ TSHR P16473 1/20 0.38
▸ RECQL P46063 1/20 0.38
▸ CYP11B2 P19099 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ NAMPT P43490 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
SCHEMBL17276552 0.84 HPGD (0.51) TSHRALDH1A1LMNA
SCHEMBL17276646 0.84 NPC1 (0.43) CCNCCDK8TSHRRECQL
SCHEMBL17276373 0.83 HPGD (0.49) TSHRRECQLALDH1A1LMNA
SCHEMBL17276563 0.82 HPGD (0.47) ALDH1A1LMNA
SCHEMBL17276798 0.81 DAGLA (0.46) ALDH1A1
SCHEMBL17276294 0.78 LMNA (0.47) ALDH1A1LMNA
SCHEMBL17276317 0.78 NPC1 (0.44) CCNCCDK8TSHRALDH1A1
SCHEMBL17276663 0.77 PLA2G7 (0.46) TSHRALDH1A1LMNA
SCHEMBL17276375 0.74 GAK (0.43) TSHRALDH1A1
SCHEMBL19078705 0.70 FAAH (0.47) —

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-20170190669-A1 PYRAZOLE COMPOUNDS AND METHODS OF MAKING AND USING SAME H. LUNDBECK A/S (DK) 2017-07-06 — — 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-20170190669-A1 PYRAZOLE COMPOUNDS AND METHODS OF MAKING AND USING SAME ABHD6, FAAH, FAAH2 CCNC 4720/4885CDK8 2895/4885TSHR 4282/4885

“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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