SCHEMBL10107612

SCHEMBL10107612

CN1CCN(c2ncccc2C(=O)NC2CCNCC2)CC1

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.64
▸ MEN1 O00255 2/20 0.64
▸ CYP1A2 P05177 1/20 0.64
▸ CYP3A4 P08684 1/20 0.64
▸ CYP2C9 P11712 1/20 0.64
▸ CYP2C19 P33261 1/20 0.64
▸ CHIA Q9BZP6 1/20 0.61
▸ RAB9A P51151 1/20 0.45
▸ JAK2 O60674 1/20 0.44
▸ JAK1 P23458 1/20 0.44
▸ JAK3 P52333 1/20 0.44
▸ ALDH1A1 P00352 2/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ GAA P10253 1/20 0.44
▸ TSHR P16473 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ PAK1 Q13153 1/20 0.42

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
SCHEMBL27966211 0.87 KMT2A (0.71) KMT2AMEN1CYP1A2CYP3A4CYP2C9
SCHEMBL14214993 0.84 KMT2A (0.61) KMT2AMEN1CYP1A2CYP3A4CYP2C9
SCHEMBL13116727 0.84 MEN1 (0.82) KMT2AMEN1CYP1A2CYP3A4CYP2C9
SCHEMBL10107569 0.81 HDAC3 (0.48) RAB9AGAA
SCHEMBL10107610 0.81 POLB (0.62) KMT2AMEN1CYP1A2CYP3A4CYP2C9
SCHEMBL3118513 0.78 KMT2A (0.73) KMT2AMEN1CYP1A2CYP3A4CYP2C9
SCHEMBL27989986 0.77 KMT2A (0.61) KMT2AMEN1CYP1A2CYP3A4CYP2C9
SCHEMBL10017943 0.77 SIGMAR1 (0.59) KMT2AMEN1CYP1A2CYP3A4CYP2C9
SCHEMBL9376897 0.76 CHIA (0.77) KMT2AMEN1CYP1A2CYP3A4CYP2C9
SCHEMBL10107496 0.75 CNR2 (0.54) KMT2AMEN1RAB9AALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8114880-B2 Piperidine or piperazine substituted tetrahydro-naphthalene-1-carboxylic acid MTP inhibiting compounds JANSSEN PHARMACEUTICA N.V. (BE) 2012-02-14 — — US disclosed
US-8114880-B2 Piperidine or piperazine substituted tetrahydro-naphthalene-1-carboxylic acid MTP inhibiting compounds JANSSEN PHARMACEUTICA N.V. (BE) 2012-02-14 — — US disclosed
US-20090325980-A1 PIPERIDINE OR PIPERAZINE SUBSTITUTED TETRAHYDRO-NAPHTHALENE-1-CARBOXYLIC ACID MTP INHIBITING COMPOUNDS JANSSEN PHARMACEUTICA N.V. (BE) 2009-12-31 — — US disclosed
US-20090325980-A1 PIPERIDINE OR PIPERAZINE SUBSTITUTED TETRAHYDRO-NAPHTHALENE-1-CARBOXYLIC ACID MTP INHIBITING COMPOUNDS JANSSEN PHARMACEUTICA N.V. (BE) 2009-12-31 — — 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-20090325980-A1 PIPERIDINE OR PIPERAZINE SUBSTITUTED TETRAHYDRO-NAPHTHALENE-1-CARBOXYLIC ACID MTP INHIBITING COMPOUNDS PNLIP, APOB, LIPC KMT2A 3739/4885MEN1 4057/4885CYP1A2 2179/4885

“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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