SCHEMBL12643824

SCHEMBL12643824

CCN(OCc1ccccc1)C(=O)CNC(=O)NCc1ccc(N)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ PPID Q08752 9/20 1.00
▸ PPIB P23284 6/20 1.00
▸ PPIG Q13427 3/20 1.00
▸ PPIA P62937 1/20 0.56
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ PTPN1 P18031 1/20 0.42
▸ POLB P06746 1/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ EPHX1 P07099 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ NAMPT P43490 1/20 0.40

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
SCHEMBL16270322 0.90 PPID (0.81) PPIDPPIBPPIGPPIASMN1; SMN2
SCHEMBL2036394 0.89 PPID (0.80) PPIDPPIBPPIGPPIANAMPT
SCHEMBL2037853 0.87 PPIB (0.77) PPIDPPIBPPIGPPIAPOLB
SCHEMBL2038750 0.87 PPIB (0.77) PPIDPPIBPPIGPPIANPC1
SCHEMBL2034561 0.87 PPIB (0.76) PPIDPPIBPPIGPPIASMN1; SMN2
SCHEMBL12643823 0.86 PPIB (0.76) PPIDPPIBPPIGPPIASMN1; SMN2
SCHEMBL2037969 0.86 PPIB (0.76) PPIDPPIBPPIGPPIAEPHX1
SCHEMBL2041336 0.86 PPID (0.76) PPIDPPIBPPIGPPIASMN1; SMN2
SCHEMBL2037937 0.85 PPID (0.74) PPIDPPIBPPIGPPIASMN1; SMN2
SCHEMBL2037877 0.85 PPID (0.73) PPIDPPIBPPIGPPIASMN1; SMN2

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8901295-B2 Inhibitors of cyclophilins and uses thereof INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 2014-12-02 — — US disclosed
US-8802666-B2 Inhibitors of cyclophilins and uses thereof INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 2014-08-12 — — US disclosed
US-8802666-B2 Inhibitors of cyclophilins and uses thereof INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 2014-08-12 — — US disclosed
US-20130018044-A1 NEW INHIBITORS OF CYCLOPHILINS AND USES THEREOF INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 2013-01-17 — — US disclosed
US-20130018044-A1 NEW INHIBITORS OF CYCLOPHILINS AND USES THEREOF INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 2013-01-17 — — US disclosed
WO-2011076784-A2 NEW INHIBITORS OF CYCLOPHILINS AND USES THEREOF INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 2011-06-30 — — WO 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-20130018044-A1 NEW INHIBITORS OF CYCLOPHILINS AND USES THEREOF FKBP3, FKBP4, FKBP5 PPID 73/4885PPIB 51/4885PPIG 28/4885

“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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