SCHEMBL19078799

SCHEMBL19078799

Cc1cnn(C(=O)N2CCN(Cc3ccccc3C)CC2)c1

nearest known ligand 0.74

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ FABP6 P51161 1/20 0.55
▸ KDM4E B2RXH2 2/20 0.53
▸ MEN1 O00255 2/20 0.53
▸ ALDH1A1 P00352 2/20 0.53
▸ KMT2A Q03164 2/20 0.53
▸ LMNA P02545 1/20 0.50
▸ MAPT P10636 1/20 0.50
▸ HTT P42858 1/20 0.50

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
SCHEMBL19078779 0.88 ALDH1A1 (0.58) MEN1ALDH1A1KMT2A
SCHEMBL19078802 0.88 KDM4E (0.58) KDM4EMEN1ALDH1A1KMT2ALMNA
SCHEMBL17276570 0.86 ALDH1A1 (0.55) FABP6KDM4EMEN1ALDH1A1KMT2A
SCHEMBL19078800 0.86 ALDH1A1 (0.57) KDM4EMEN1ALDH1A1KMT2ALMNA
SCHEMBL19078752 0.86 FAAH (0.67) —
SCHEMBL19078804 0.85 TRPV1 (0.55) —
SCHEMBL19078803 0.85 ALDH1A1 (0.57) KDM4EMEN1ALDH1A1KMT2ALMNA
SCHEMBL17276459 0.85 LMNA (0.54) LMNA
SCHEMBL20556776 0.83 — —
SCHEMBL19078805 0.82 AKR1C3 (0.46) —

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 FABP6 37/4885KDM4E 2168/4885MEN1 3710/4885

“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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