SCHEMBL14836855

SCHEMBL14836855

O=C(CN1CCC[C@@H]1C(=O)O)OCc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MMEL1 Q495T6 1/20 0.52
ACE P12821 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
CTRB1 P17538 1/20 0.47
PREP P48147 3/20 0.46
SPHK1 Q9NYA1 1/20 0.46
FKBP1A P62942 2/20 0.46
ALDH1A1 P00352 1/20 0.46
MAPK1 P28482 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2C19 P33261 1/20 0.45

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
SCHEMBL19880369 0.96 SMN1; SMN2 (0.51) MMEL1ACESMN1; SMN2NPC1RAB9A
SCHEMBL18734805 0.96 SMN1; SMN2 (0.51) MMEL1ACESMN1; SMN2NPC1RAB9A
SCHEMBL19880370 0.96 SMN1; SMN2 (0.51) MMEL1ACESMN1; SMN2NPC1RAB9A
SCHEMBL24705627 0.90 SPHK1 (0.50) MMEL1SMN1; SMN2NPC1RAB9ACTRB1
SCHEMBL20966402 0.90 SPHK1 (0.58) MMEL1SMN1; SMN2CTRB1PREPSPHK1
SCHEMBL18626013 0.90 SPHK1 (0.50) MMEL1SMN1; SMN2NPC1RAB9ACTRB1
SCHEMBL934366 0.87 MMEL1 (0.58) MMEL1ACECTRB1PREPFKBP1A
SCHEMBL20966406 0.87 MMEL1 (0.53) MMEL1ACESMN1; SMN2CTRB1PREP
SCHEMBL2707345 0.87 MMEL1 (0.58) MMEL1ACECTRB1PREPFKBP1A
SCHEMBL20993944 0.86 MMEL1 (0.65) MMEL1SMN1; SMN2NPC1FKBP1AALDH1A1

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-2578587-B1 PYRAZOLE DERIVATIVES HANDE STARLAKE BIOSCIENCE CO LTD (CN) 2016-09-07 EP disclosed
US-9249172-B2 Pyrazole derivatives HANDE PHARMA LIMITED (CN) 2016-02-02 US disclosed
US-20130142757-A1 PYRAZOLE DERIVATIVES HANDE STARLAKE BIOSCIENCE CO., LTD. (CN) 2013-06-06 US disclosed
EP-2578587-A1 PYRAZOLE DERIVATIVES Hande Starlake Bioscience Co., Ltd. (CN) 2013-04-10 EP 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-20130142757-A1 PYRAZOLE DERIVATIVES CBR3, CBR1, CYP2E1 MMEL1 4341/4885ACE 1889/4885SMN1; SMN2 4440/4885

“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.