SCHEMBL19078803

SCHEMBL19078803

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

nearest known ligand 0.67

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.57
▸ KDM4E B2RXH2 3/20 0.57
▸ TDP1 Q9NUW8 3/20 0.57
▸ ATM Q13315 2/20 0.57
▸ NPSR1 Q6W5P4 2/20 0.57
▸ GAA P10253 2/20 0.57
▸ MEN1 O00255 2/20 0.56
▸ KMT2A Q03164 2/20 0.56
▸ TSHR P16473 1/20 0.52
▸ MAPT P10636 1/20 0.52
▸ ALOX15 P16050 1/20 0.52
▸ LMNA P02545 1/20 0.50
▸ CYP3A4 P08684 1/20 0.50
▸ CYP2D6 P10635 1/20 0.50
▸ CYP2C9 P11712 1/20 0.50
▸ CYP2C19 P33261 1/20 0.50
▸ PHGDH O43175 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
SCHEMBL17276311 0.89 ALDH1A1 (0.57) ALDH1A1KDM4ETDP1ATMNPSR1
SCHEMBL19078802 0.85 KDM4E (0.58) ALDH1A1KDM4EMEN1KMT2ALMNA
SCHEMBL19078799 0.85 FABP6 (0.55) ALDH1A1KDM4EMEN1KMT2AMAPT
SCHEMBL20556783 0.84 — —
SCHEMBL19078779 0.83 ALDH1A1 (0.58) ALDH1A1MEN1KMT2A
SCHEMBL19078800 0.81 ALDH1A1 (0.57) ALDH1A1KDM4EMEN1KMT2AMAPT
SCHEMBL17276570 0.81 ALDH1A1 (0.55) ALDH1A1KDM4ETDP1ATMNPSR1
SCHEMBL17276625 0.81 — —
SCHEMBL19078804 0.80 TRPV1 (0.55) —
SCHEMBL17276459 0.80 LMNA (0.54) LMNA

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 2168/4885TDP1 4025/4885

“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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