SCHEMBL12413699

SCHEMBL12413699

CC(C)C(=O)N1CCCCC1C1CCN(C)CC1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ DPP7 Q9UHL4 1/20 0.42
▸ DPP4 P27487 5/20 0.40
▸ NPC1 O15118 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ PRMT5 O14744 1/20 0.37
▸ WDR77 Q9BQA1 1/20 0.37
▸ CHRM3 P20309 1/20 0.35
▸ RIPK1 Q13546 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ HPGD P15428 1/20 0.35

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
SCHEMBL12308338 0.86 DPP7 (0.46) DPP7DPP4NPC1RAB9ASMN1; SMN2
SCHEMBL12506229 0.81 POLB (0.44) NPC1RAB9ASMN1; SMN2POLBTDP1
SCHEMBL17001904 0.77 NPC1 (0.49) NPC1RAB9ASMN1; SMN2POLBTDP1
SCHEMBL17001881 0.77 GNAI3 (0.40) DPP7NPC1RAB9ASMN1; SMN2POLB
SCHEMBL17001669 0.77 SMN1; SMN2 (0.49) DPP7NPC1RAB9ASMN1; SMN2POLB
SCHEMBL17001739 0.76 TDP1 (0.46) DPP7NPC1RAB9ASMN1; SMN2POLB
SCHEMBL17001718 0.75 L3MBTL3 (0.42) NPC1RAB9ASMN1; SMN2POLBTDP1
SCHEMBL17001710 0.75 SMN1; SMN2 (0.40) DPP7DPP4NPC1RAB9ASMN1; SMN2
SCHEMBL17001725 0.75 SMN1; SMN2 (0.40) DPP7DPP4NPC1RAB9ASMN1; SMN2
SCHEMBL21019907 0.74 DPP4 (0.38) DPP7DPP4GAAHPGD

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-8293729-B2 Compounds, pharmaceutical composition and methods relating thereto BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-10-23 — — US disclosed
US-8293729-B2 Compounds, pharmaceutical composition and methods relating thereto BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-10-23 — — US disclosed
US-20110166116-A1 NEW COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS RELATING THERETO BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-07-07 — — US disclosed
US-20110166116-A1 NEW COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS RELATING THERETO BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-07-07 — — 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-20110166116-A1 NEW COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS RELATING THERETO MC2R, REN, CYP11B2 DPP7 799/4885DPP4 340/4885NPC1 40/4885

“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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