SCHEMBL20185026

SCHEMBL20185026

O=C(NC1CCC(C(=O)Nc2ccc(F)cc2Cl)CC1)c1n[nH]c2ccc(F)cc12

nearest known ligand 0.54

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ DYRK1A Q13627 16/20 0.54
▸ WNT1 P04628 5/20 0.52
▸ NTRK1 P04629 1/20 0.51
▸ HPGD P15428 1/20 0.48
▸ CRHR1 P34998 1/20 0.47
▸ ALOX15 P16050 1/20 0.47

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
SCHEMBL18216206 1.00 DYRK1A (0.54) DYRK1AWNT1NTRK1HPGDCRHR1
SCHEMBL20184982 0.93 NPC1 (0.56) DYRK1AWNT1NTRK1HPGDALOX15
SCHEMBL18216498 0.93 NPC1 (0.56) DYRK1AWNT1NTRK1HPGDALOX15
SCHEMBL20201142 0.80 HPGD (0.49) HPGDALOX15
SCHEMBL18216438 0.79 HPGD (0.55) HPGDALOX15
SCHEMBL18208241 0.78 HPGD (0.56) HPGD
SCHEMBL18208239 0.78 HPGD (0.56) HPGD
SCHEMBL18216497 0.77 HPGD (0.51) HPGD
SCHEMBL20185024 0.77 HPGD (0.51) HPGD
SCHEMBL18216507 0.76 ALDH1A1 (0.52) HPGDCRHR1

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-20180148418-A1 AMIDO-SUBSTITUTED CYCLOHEXANE DERIVATIVES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2018-05-31 — — 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-20180148418-A1 AMIDO-SUBSTITUTED CYCLOHEXANE DERIVATIVES C1R, C9, C1S DYRK1A 4464/4885WNT1 2618/4885NTRK1 3217/4885

“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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