SCHEMBL3309945

SCHEMBL3309945

CCOC(=O)C1(N)CCc2cc(OC)ccc2C1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 2/20 0.43
OPRM1 P35372 2/20 0.43
ADRB2 P07550 1/20 0.43
HTR1A P08908 1/20 0.43
ADRA2B P18089 1/20 0.43
SLC6A2 P23975 1/20 0.43
HTR2C P28335 1/20 0.43
HRH1 P35367 1/20 0.43
OPRK1 P41145 1/20 0.43
HTR2B P41595 1/20 0.43
HTR5A P47898 1/20 0.43
SLC6A3 Q01959 1/20 0.43
SIGMAR1 Q99720 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
KMT2A Q03164 4/20 0.41
ALDH1A1 P00352 1/20 0.41
CYP2C19 P33261 1/20 0.40
HSD17B10 Q99714 1/20 0.39
LMNA P02545 2/20 0.39
MTNR1A P48039 1/20 0.39

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
Hydrochloric Acid SCHEMBL3309941 0.99 ADRA2A (0.43) ADRA2AOPRM1ADRB2HTR1AADRA2B
SCHEMBL3309532 0.90 ALDH1A1 (0.41) ADRA2AOPRM1ADRB2HTR1AADRA2B
Hydrochloric Acid SCHEMBL10913536 0.86 SMN1; SMN2 (0.51) ADRA2AOPRM1ADRB2HTR1AADRA2B
SCHEMBL10913733 0.86 ESR2 (0.42) CA1CA2CA7CA9CA14
SCHEMBL7828042 0.83 KDM4E (0.41) KMT2AALDH1A1CYP2C19LMNAMEN1
SCHEMBL8345353 0.83 ADRA2A (0.47) ADRA2AOPRM1ADRB2HTR1AADRA2B
SCHEMBL3307587 0.82 SMN1; SMN2 (0.52) ADRA2AOPRM1ADRB2HTR1AADRA2B
SCHEMBL8842075 0.81 BRD4 (0.46) OPRM1OPRK1SMN1; SMN2KMT2ALMNA
SCHEMBL16835985 0.78 OPRM1 (0.44) OPRM1SMN1; SMN2KMT2AALDH1A1LMNA
SCHEMBL21326843 0.77 KMT2A (0.45) OPRM1KMT2AALDH1A1LMNAPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8569535-B2 Substituted benzoylamino-indan-2-carboxylic acids and related compounds SANOFI (FR) 2013-10-29 US disclosed
US-8569535-B2 Substituted benzoylamino-indan-2-carboxylic acids and related compounds SANOFI (FR) 2013-10-29 US disclosed
US-8569535-B2 Substituted benzoylamino-indan-2-carboxylic acids and related compounds SANOFI (FR) 2013-10-29 US disclosed
US-20100113462-A1 SUBSTITUTED BENZOYLAMINO-INDAN-2-CARBOXYLIC ACIDS AND RELATED COMPOUNDS SANOFI-AVENTIS (FR) 2010-05-06 US disclosed
US-20100113462-A1 SUBSTITUTED BENZOYLAMINO-INDAN-2-CARBOXYLIC ACIDS AND RELATED COMPOUNDS SANOFI-AVENTIS (FR) 2010-05-06 US disclosed
US-20100113462-A1 SUBSTITUTED BENZOYLAMINO-INDAN-2-CARBOXYLIC ACIDS AND RELATED COMPOUNDS SANOFI-AVENTIS (FR) 2010-05-06 US disclosed
WO-2008151211-A1 SUBSTITUTED BENZOYLAMINO-INDAN-2-CARBOXYLIC ACIDS AND RELATED COMPOUNDS SANOFI-AVENTIS (FR) 2008-12-11 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 (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-20100113462-A1 SUBSTITUTED BENZOYLAMINO-INDAN-2-CARBOXYLIC ACIDS AND RELATED COMPOUNDS CXCR5, CXCR1, CCR5 ADRA2A 1226/4885OPRM1 619/4885ADRB2 721/4885

“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.