SCHEMBL3307587

SCHEMBL3307587

COC(=O)C1(N)CCc2ccc(OC)cc2C1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.52
ADRA2A P08913 3/20 0.46
MTNR1A P48039 3/20 0.44
MTNR1B P49286 3/20 0.44
HSD17B10 Q99714 1/20 0.42
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
ACHE P22303 2/20 0.41
DRD2 P14416 1/20 0.41
DRD3 P35462 1/20 0.41
ADRB2 P07550 1/20 0.41
HTR1A P08908 1/20 0.41
ADRA2B P18089 1/20 0.41
SLC6A2 P23975 1/20 0.41
HTR2C P28335 1/20 0.41
HRH1 P35367 1/20 0.41
OPRM1 P35372 1/20 0.41
OPRK1 P41145 1/20 0.41
HTR2B P41595 1/20 0.41
HTR5A P47898 1/20 0.41

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 SCHEMBL10913536 0.93 SMN1; SMN2 (0.51) SMN1; SMN2ADRA2AMTNR1AMTNR1BHSD17B10
SCHEMBL7932303 0.83 HSD17B3 (0.36) SMN1; SMN2POLBKDM1A
SCHEMBL19391836 0.83 PIN1 (0.42) SMN1; SMN2CXCR5KDM1A
SCHEMBL7911013 0.83 HSD17B3 (0.36) SMN1; SMN2POLBKDM1A
SCHEMBL7918434 0.83 HSD17B3 (0.36) SMN1; SMN2POLBKDM1A
SCHEMBL8345353 0.82 ADRA2A (0.47) SMN1; SMN2ADRA2AHSD17B10DRD2DRD3
SCHEMBL346235 0.82 SMN1; SMN2 (0.56) SMN1; SMN2ADRA2AMTNR1AMTNR1BCA1
SCHEMBL3309945 0.82 ADRA2A (0.43) SMN1; SMN2ADRA2AMTNR1AMTNR1BHSD17B10
SCHEMBL12203624 0.81 TACR1 (0.39) SMN1; SMN2
SCHEMBL29156256 0.81 TACR1 (0.39) SMN1; SMN2

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 SMN1; SMN2 3325/4885ADRA2A 1226/4885MTNR1A 809/4885

“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.