SCHEMBL21824388

SCHEMBL21824388

Nc1c(F)c(C2CCNCC2)nn1C(=O)c1cccc2c1OCCO2

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ F2 P00734 5/20 0.41
▸ CTNNB1 P35222 3/20 0.36
▸ WNT3A P56704 3/20 0.36
▸ KLKB1 P03952 2/20 0.36
▸ HTR4 Q13639 2/20 0.36
▸ MRGPRX1 Q96LB2 1/20 0.36
▸ HCRTR1 O43613 2/20 0.35
▸ HCRTR2 O43614 2/20 0.35
▸ ADRB1 P08588 1/20 0.35
▸ CNR1 P21554 1/20 0.34
▸ CNR2 P34972 1/20 0.34
▸ PARP1 P09874 2/20 0.33
▸ RORC P51449 1/20 0.33
▸ SSTR4 P31391 1/20 0.32

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
SCHEMBL21824373 0.90 F2 (0.41) F2CTNNB1WNT3AKLKB1HTR4
SCHEMBL21824363 0.80 F2 (0.39) F2CTNNB1WNT3AKLKB1HTR4
SCHEMBL21748321 0.78 F2 (0.71) F2KLKB1
SCHEMBL29905696 0.69 HCRTR1 (0.43) F2CTNNB1WNT3AKLKB1HTR4
SCHEMBL21748363 0.69 F2 (0.71) F2KLKB1
SCHEMBL21824350 0.69 HCRTR1 (0.39) F2CTNNB1WNT3AKLKB1HTR4
Hydrochloric Acid SCHEMBL18039841 0.67 F2 (0.69) F2KLKB1
SCHEMBL8548879 0.64 ADRB1 (0.50) ADRB1
SCHEMBL7951997 0.63 HTR4 (0.64) HTR4CNR1CNR2
Hydrochloric Acid SCHEMBL7956600 0.63 HTR4 (0.63) HTR4CNR1CNR2

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-20200109132-A1 SUBSTITUTED PYRAZOLE COMPOUNDS AS SERINE PROTEASE INHIBITORS VERSEON INTERNATIONAL CORPORATION 2020-04-09 — — 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-20200109132-A1 SUBSTITUTED PYRAZOLE COMPOUNDS AS SERINE PROTEASE INHIBITORS SPINT2, PRSS1, SERPINE1 F2 30/4885CTNNB1 2098/4885WNT3A 2349/4885

“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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