SCHEMBL3709870

SCHEMBL3709870

CCCc1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)cc1

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.61
▸ LMNA P02545 3/20 0.61
▸ ALDH1A1 P00352 1/20 0.61
▸ SMN1; SMN2 Q16637 4/20 0.60
▸ MEN1 O00255 3/20 0.60
▸ KMT2A Q03164 3/20 0.60
▸ CYP2C19 P33261 1/20 0.60
▸ HTT P42858 1/20 0.58
▸ NPSR1 Q6W5P4 1/20 0.58
▸ DDB1 Q16531 1/20 0.54
▸ CRBN Q96SW2 1/20 0.54
▸ GPR119 Q8TDV5 9/20 0.54
▸ NAMPT P43490 1/20 0.53
▸ KDM4E B2RXH2 1/20 0.51
▸ GAA P10253 1/20 0.51
▸ TSHR P16473 1/20 0.50

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
SCHEMBL3785257 0.92 MAPT (0.58) MAPTLMNAALDH1A1SMN1; SMN2MEN1
SCHEMBL23355487 0.89 MAPT (0.61) MAPTLMNAALDH1A1SMN1; SMN2MEN1
SCHEMBL3807661 0.89 MAPT (0.64) MAPTLMNAALDH1A1SMN1; SMN2MEN1
SCHEMBL10316012 0.89 GPR119 (0.72) MAPTLMNAALDH1A1SMN1; SMN2MEN1
SCHEMBL19212323 0.88 MAPT (0.60) MAPTLMNAALDH1A1SMN1; SMN2MEN1
SCHEMBL5573222 0.87 MAPT (0.76) MAPTLMNAALDH1A1SMN1; SMN2MEN1
SCHEMBL3124993 0.87 MAPT (0.58) MAPTLMNAALDH1A1SMN1; SMN2MEN1
SCHEMBL1136833 0.86 MAPT (0.64) MAPTLMNAALDH1A1SMN1; SMN2MEN1
SCHEMBL3114683 0.86 MAPT (0.57) MAPTLMNAALDH1A1SMN1; SMN2MEN1
SCHEMBL1019005 0.85 MAPT (0.62) MAPTLMNAALDH1A1SMN1; SMN2MEN1

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-20170050950-A1 AROMATIC HETEROCYCLIC COMPOUND MITSUBISHI TANABE PHARMA CORPORATION (JP) 2017-02-23 — — US disclosed
US-9546155-B2 Aromatic heterocyclic compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2017-01-17 — — US disclosed
US-20150158844-A1 AROMATIC HETEROCYCLIC COMPOUND MITSUBISHI TANABE PHARMA CORPORATION (JP) 2015-06-11 — — US disclosed
US-8975235-B2 Lysophosphatidic acid receptor antagonists INTERMUNE, INC. (US) 2015-03-10 — — US disclosed
US-20130072449-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS INTERMUNE, INC. (US) 2013-03-21 — — US disclosed
WO-2010081851-A1 PIPERIDIN-4-YLPIPERAZINE COMPOUNDS FOR THE TREATMENT OF HCV INFECTION GENOSCIENCE PHARMA (FR) 2010-07-22 — — 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 (3 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-20150158844-A1 AROMATIC HETEROCYCLIC COMPOUND GPR119, NR0B1, BET1 MAPT 4747/4885LMNA 2943/4885ALDH1A1 887/4885
US-20130072449-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS LPAR1, LPAR2, LPAR5 MAPT 4564/4885LMNA 701/4885ALDH1A1 4135/4885
US-20170050950-A1 AROMATIC HETEROCYCLIC COMPOUND GPR119, NR0B1, BET1 MAPT 4747/4885LMNA 2943/4885ALDH1A1 887/4885

“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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