SCHEMBL19078800

SCHEMBL19078800

COc1ccccc1CN1CCN(C(=O)n2cc(C)cn2)CC1

nearest known ligand 0.68

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.57
▸ KDM4E B2RXH2 3/20 0.57
▸ HTT P42858 3/20 0.57
▸ ALOX15 P16050 1/20 0.56
▸ MEN1 O00255 1/20 0.52
▸ KMT2A Q03164 1/20 0.52
▸ MAPT P10636 2/20 0.52
▸ LMNA P02545 1/20 0.52

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
SCHEMBL19078765 0.87 FAAH (0.53) ALDH1A1KDM4EHTTMEN1KMT2A
SCHEMBL19078799 0.86 FABP6 (0.55) ALDH1A1KDM4EHTTMEN1KMT2A
SCHEMBL17276615 0.86 ALDH1A1 (0.54) ALDH1A1KDM4EHTTALOX15MEN1
SCHEMBL19078802 0.84 KDM4E (0.58) ALDH1A1KDM4EHTTMEN1KMT2A
SCHEMBL19078779 0.84 ALDH1A1 (0.58) ALDH1A1MEN1KMT2A
SCHEMBL20556958 0.83 — —
SCHEMBL19078803 0.81 ALDH1A1 (0.57) ALDH1A1KDM4EALOX15MEN1KMT2A
SCHEMBL19078804 0.81 TRPV1 (0.55) —
SCHEMBL17276459 0.81 LMNA (0.54) LMNA
SCHEMBL19078785 0.81 AKR1C3 (0.59) ALDH1A1KDM4EHTTMEN1KMT2A

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 ALDH1A1 1322/4885KDM4E 2168/4885HTT 3834/4885

“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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