SCHEMBL5336840

SCHEMBL5336840

O=C(O)CN1C(=O)C2CCCCC2C1=O

nearest known ligand 0.67

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.56
ALDH1A1 P00352 3/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
TP53 P04637 1/20 0.49
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
TSHR P16473 1/20 0.42
CA12 O43570 1/20 0.42
CA9 Q16790 1/20 0.42
ACE P12821 1/20 0.42
POLB P06746 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
SCHEMBL7290092 1.00 HTT (0.56) HTTALDH1A1L3MBTL1SMN1; SMN2TP53
SCHEMBL13806337 0.82 HTT (0.54) HTTALDH1A1L3MBTL1TP53MEN1
SCHEMBL11828840 0.82 HTT (0.68) HTTALDH1A1L3MBTL1TP53MEN1
SCHEMBL7806227 0.80 MAPK1 (0.53) HTTALDH1A1L3MBTL1SMN1; SMN2KMT2A
SCHEMBL7802853 0.80 MAPK1 (0.53) HTTALDH1A1L3MBTL1SMN1; SMN2KMT2A
SCHEMBL6050299 0.79 HTT (0.51) HTTALDH1A1L3MBTL1TP53MEN1
SCHEMBL5309816 0.78 ALDH1A1 (0.53) HTTALDH1A1L3MBTL1SMN1; SMN2TP53
SCHEMBL7804032 0.77 ATM (0.46) HTTALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL7802034 0.77 ATM (0.46) HTTALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL10869246 0.76 ALDH1A1 (0.50) HTTALDH1A1SMN1; SMN2TP53MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3436449-A1 COMPOUNDS FOR THE INHIBITION OF CYCLOPHILINS AND USES THEREOF Merck Patent GmbH (DE) 2019-02-06 EP disclosed
US-9975902-B2 Compounds for the inhibition of cyclophilins and uses thereof MERCK PATENT GMBH (DE) 2018-05-22 US disclosed
US-20170283427-A1 COMPOUNDS FOR THE INHIBITION OF CYCLOPHILINS AND USES THEREOF MERCK PATENT GMBH (DE) 2017-10-05 US disclosed
WO-2017173052-A1 COMPOUNDS FOR THE INHIBITION OF CYCLOPHILINS AND USES THEREOF MERCK PATENT GMBH (DE) 2017-10-05 WO disclosed
WO-2007029156-A2 ISOINDOLEDIONE DERIVATIVES AS ADRENERGIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2007-03-15 WO disclosed
EP-0509769-B1 Heterocyclic amides having HLE inhibiting activity ZENECA LTD (GB) 1996-09-11 EP disclosed
US-5521179-A Heterocyclic amides ZENECA LIMITED (GB) 1996-05-28 US disclosed
EP-0509769-A2 Heterocyclic amides having HLE inhibiting activity ZENECA LIMITED (GB) 1992-10-21 EP disclosed
US-4017299-A Phthalimide derivatives as plant growth regulants AMERICAN CYANAMID COMPANY (US) 1977-04-12 US disclosed
US-3968217-A ANTIDEPRESSANT A. H. ROBINS COMPANY, INCORPORATED (US) 1976-07-06 US disclosed
US-3940419-A Phthalimide derivatives and their use as plant growth regulants AMERICAN CYANAMID COMPANY (US) 1976-02-24 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-20170283427-A1 COMPOUNDS FOR THE INHIBITION OF CYCLOPHILINS AND USES THEREOF PPIG, PPIH, FKBP2 HTT 236/4885ALDH1A1 1226/4885L3MBTL1 2665/4885

“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.