SCHEMBL21824339

SCHEMBL21824339

Nc1cc(C2CCNCC2)nn1C(=O)C1CCCC1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ HRH4 Q9H3N8 2/20 0.46
▸ MAP3K14 Q99558 4/20 0.40
▸ PLAT P00750 6/20 0.40
▸ PKM P14618 2/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ TP53 P04637 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ HRH3 Q9Y5N1 2/20 0.36
▸ F2 P00734 2/20 0.36
▸ MAPT P10636 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ PLG P00747 1/20 0.35
▸ GABRA1 P14867 1/20 0.34
▸ GABRB2 P47870 1/20 0.34
▸ CHRNB2 P17787 1/20 0.34
▸ CHRNA4 P43681 1/20 0.34

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
SCHEMBL21824356 0.99 HRH4 (0.44) HRH4MAP3K14PLATPKMNPC1
SCHEMBL20474031 0.73 CCNA2 (0.35) HRH4PLATPKMF2
Hydrochloric Acid SCHEMBL21824341 0.72 CHRNB2 (0.41) HRH4PLATF2CHRNB2CHRNA4
SCHEMBL174681 0.71 SMN1; SMN2 (0.44) PKMNPC1LMNATP53RAB9A
SCHEMBL18039743 0.71 F2 (0.75) F2
SCHEMBL4138174 0.70 NPC1 (0.40) HRH4MAP3K14PKMNPC1LMNA
Hydrochloric Acid SCHEMBL29905299 0.70 F2 (0.74) F2
Hydrochloric Acid SCHEMBL21824318 0.69 F2 (0.59) PLATLMNAF2MAPT
SCHEMBL13896431 0.69 NPC1 (0.43) HRH4MAP3K14PKMNPC1LMNA
Hydrochloric Acid SCHEMBL18039880 0.69 F2 (0.73) F2

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 HRH4 923/4885MAP3K14 245/4885PLAT 10/4885

“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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