SCHEMBL14686891

SCHEMBL14686891

Cc1nc(N2CCCC2=O)ccc1C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.48
▸ GABRP O00591 1/20 0.47
▸ GABRD O14764 1/20 0.47
▸ GABRA1 P14867 1/20 0.47
▸ GABRB1 P18505 1/20 0.47
▸ GABRG2 P18507 1/20 0.47
▸ GABRB3 P28472 1/20 0.47
▸ GABRA5 P31644 1/20 0.47
▸ GABRA3 P34903 1/20 0.47
▸ GABRA2 P47869 1/20 0.47
▸ GABRB2 P47870 1/20 0.47
▸ GABRA4 P48169 1/20 0.47
▸ GABRE P78334 1/20 0.47
▸ GABRA6 Q16445 1/20 0.47
▸ GABRG1 Q8N1C3 1/20 0.47
▸ GABRG3 Q99928 1/20 0.47
▸ GABRQ Q9UN88 1/20 0.47
▸ HPGD P15428 3/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ CYP3A4 P08684 1/20 0.43

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
SCHEMBL14687884 0.83 NPC1 (0.53) ALDH1A1HPGDCYP1A2CYP2C19RXFP1
SCHEMBL6353454 0.82 POLB (0.49) ALDH1A1HPGDCYP1A2CYP3A4CYP2D6
SCHEMBL12983822 0.80 ROCK1 (0.51) ALDH1A1GABRPGABRDGABRA1GABRB1
SCHEMBL6605603 0.80 ALDH1A1 (0.52) ALDH1A1HPGDCYP1A2CYP3A4CYP2D6
SCHEMBL30019495 0.78 L3MBTL1 (0.44) ALDH1A1L3MBTL1ADORA2AADORA1CCNC
SCHEMBL2130721 0.77 GABRP (0.50) ALDH1A1GABRPGABRDGABRA1GABRB1
SCHEMBL24141396 0.77 L3MBTL1 (0.43) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL2132966 0.76 GABRP (0.49) ALDH1A1GABRPGABRDGABRA1GABRB1
SCHEMBL24141593 0.75 L3MBTL1 (0.42) L3MBTL1ADORA2AADORA1CCNCCDK8
SCHEMBL14687362 0.75 MEN1 (0.42) HPGDSMN1; SMN2MEN1KMT2A

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
EP-2565182-B1 NOVEL AMIDE DERIVATIVE AND USE THEREOF AS MEDICINE MITSUBISHI TANABE PHARMA CORP (JP) 2017-10-11 — — EP disclosed
US-8816079-B2 Amide derivative and use thereof as medicine MITSUBISHI TANABE PHARMA CORPORATION (JP) 2014-08-26 — — US disclosed
EP-2565182-A1 NOVEL AMIDE DERIVATIVE AND USE THEREOF AS MEDICINE Mitsubishi Tanabe Pharma Corporation (JP) 2013-03-06 — — EP disclosed
US-20130040930-A1 NOVEL AMIDE DERIVATIVE AND USE THEREOF AS MEDICINE MITSUBISHI TANABE PHARMA CORPORATION (JP) 2013-02-14 — — 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-20130040930-A1 NOVEL AMIDE DERIVATIVE AND USE THEREOF AS MEDICINE MMP9, MMP10, MMP2 ALDH1A1 594/4885GABRP 2492/4885GABRD 3417/4885

“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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