SCHEMBL19078722

SCHEMBL19078722

O=C(N1CCN(c2cccc(CO)c2)CC1)n1cc(C(F)(F)F)cn1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 3/20 0.47
▸ MAPT P10636 3/20 0.47
▸ ALDH1A1 P00352 2/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ LMNA P02545 6/20 0.46
▸ KMT2A Q03164 3/20 0.46
▸ NPSR1 Q6W5P4 2/20 0.46
▸ MEN1 O00255 2/20 0.46
▸ CYP1A2 P05177 1/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ CYP2D6 P10635 1/20 0.46
▸ CYP2C9 P11712 1/20 0.46
▸ CYP2C19 P33261 1/20 0.46
▸ ATM Q13315 1/20 0.45
▸ TSHR P16473 3/20 0.45
▸ HTT P42858 3/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ MAPK1 P28482 2/20 0.43
▸ RAB9A P51151 1/20 0.43

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
SCHEMBL17276516 0.86 POLB (0.53) POLBMAPTALDH1A1SMN1; SMN2LMNA
SCHEMBL19078723 0.86 AKR1C3 (0.50) POLBMAPTALDH1A1SMN1; SMN2LMNA
SCHEMBL17276630 0.85 KDM4E (0.49) POLB
SCHEMBL17276434 0.85 POLB (0.58) POLBMAPTALDH1A1SMN1; SMN2LMNA
SCHEMBL19078730 0.85 FAAH (0.49) —
SCHEMBL17276867 0.84 NPSR1 (0.50) POLBMAPTALDH1A1LMNAKMT2A
SCHEMBL19078788 0.84 FAAH (0.42) —
SCHEMBL17276600 0.84 FAAH (0.56) POLBMAPTALDH1A1SMN1; SMN2LMNA
SCHEMBL17276364 0.83 AKR1C3 (0.56) POLBALDH1A1LMNAKMT2ANPSR1
SCHEMBL17276544 0.83 FAAH (0.47) POLB

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 POLB 4451/4885MAPT 4504/4885ALDH1A1 1322/4885

“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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