SCHEMBL499847

SCHEMBL499847

CCC1CCCN1CC(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
LMNA P02545 1/20 0.42
ALOX15 P16050 1/20 0.42
CRHBP P24387 1/20 0.42
CRHR2 Q13324 1/20 0.42
LTA4H P09960 1/20 0.42
ALDH1A1 P00352 2/20 0.41
OPRD1 P41143 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
TSHR P16473 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
KDM4E B2RXH2 1/20 0.38
GAA P10253 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
POLB P06746 1/20 0.37
HTT P42858 1/20 0.37
ACE P12821 1/20 0.37
TERT O14746 1/20 0.36

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
SCHEMBL717017 0.94 MEN1 (0.49) MEN1KMT2ALMNAALOX15CRHBP
SCHEMBL20585525 0.85 S1PR1 (0.43) KMT2ALTA4HALDH1A1OPRD1L3MBTL1
SCHEMBL7763371 0.82 POLB (0.52) MEN1KMT2ALTA4HALDH1A1OPRD1
Fluorobenzene SCHEMBL27853091 0.81 LMNA (0.52) MEN1KMT2ALMNAALOX15CRHBP
SCHEMBL25479818 0.80 KMT2A (0.44) MEN1KMT2ALMNAALOX15CRHBP
SCHEMBL15925112 0.80 LTA4H (0.39) KMT2ALMNALTA4HALDH1A1OPRD1
SCHEMBL9973631 0.80 L3MBTL1 (0.40) MEN1KMT2ALTA4HALDH1A1OPRD1
SCHEMBL9149197 0.80 S1PR1 (0.58) ALDH1A1OPRD1L3MBTL1
SCHEMBL9245124 0.79 ALDH1A1 (0.38) KMT2ALMNALTA4HALDH1A1OPRD1
Malonic Acid SCHEMBL28164983 0.78 ALDH1A1 (0.50) MEN1KMT2ALMNAALOX15CRHBP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8629157-B2 Pyrrolidine compounds which modulate the CB2 receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-01-14 US disclosed
US-20120142677-A1 Pyrrolidine Compounds Which Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-07 US disclosed
US-8105760-B2 Patterning process and pattern surface coating composition SHIN-ETSU CHEMICAL CO., LTD. (JP) 2012-01-31 US disclosed
WO-2011149841-A1 SUBSTITUTED THIAZOLIDINEDIONE INDAZOLES, INDOLES AND BENZOTRIAZOLES AS ESTROGEN-RELATED RECEPTOR-α MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2011-12-01 WO disclosed
US-20110294780-A1 SUBSTITUTED THIAZOLIDINEDIONE INDAZOLES, INDOLES AND BENZOTRIAZOLES AS ESTROGEN-RELATED RECEPTOR-a MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2011-12-01 US disclosed
US-20090053657-A1 PATTERNING PROCESS AND PATTERN SURFACE COATING COMPOSITION SHIN-ETSU CHEMICAL CO., LTD. (JP) 2009-02-26 US disclosed
US-5180823-A Processes for preparing bicyclic compounds SCHERING CORPORATION (US) 1993-01-19 US disclosed
US-5079360-A Processes for preparing bicyclic compounds and intermediates thereof SCHERING CORPORATION (US) 1992-01-07 US disclosed
US-4897487-A Process for preparing intermediates for pharmaceutically useful bicyclic compounds SCHERING CORPORATION (US) 1990-01-30 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 (2 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-20120142677-A1 Pyrrolidine Compounds Which Modulate The CB2 Receptor CNR2, CNR1, OPRL1 MEN1 4874/4885KMT2A 3551/4885LMNA 4696/4885
US-20110294780-A1 SUBSTITUTED THIAZOLIDINEDIONE INDAZOLES, INDOLES AND BENZOTRIAZOLES AS ESTROGEN-RELATED RECEPTOR-a MODULATORS ESR2, IGF1R, ESRRA MEN1 2852/4885KMT2A 1077/4885LMNA 4142/4885

“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.