SCHEMBL13616555

SCHEMBL13616555

Cc1ccc2c(c1)CO[C@@H]2C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 6/20 0.37
SLC6A4 P31645 6/20 0.37
SLC6A3 Q01959 6/20 0.37
CHRNB2 P17787 1/20 0.35
CHRNA4 P43681 1/20 0.35
HTR2C P28335 3/20 0.35
KDM4E B2RXH2 2/20 0.35
GAA P10253 3/20 0.35
MGAM O43451 2/20 0.35
SI P14410 2/20 0.35
MGAM2 Q2M2H8 2/20 0.35
ACHE P22303 1/20 0.34
SRD5A1 P18405 2/20 0.33
ALDH1A1 P00352 1/20 0.33
POLB P06746 1/20 0.33
MAPT P10636 1/20 0.33
PKM P14618 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CYP2D6 P10635 1/20 0.33

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
SCHEMBL30743773 1.00 SLC6A2 (0.37) SLC6A2SLC6A4SLC6A3CHRNB2CHRNA4
SCHEMBL15896884 1.00 SLC6A2 (0.37) SLC6A2SLC6A4SLC6A3CHRNB2CHRNA4
SCHEMBL18474154 0.84 ACHE (0.38) SLC6A2SLC6A4SLC6A3CHRNB2CHRNA4
SCHEMBL14449346 0.81 HTR2C (0.37) SLC6A2SLC6A4SLC6A3CHRNB2CHRNA4
SCHEMBL19835912 0.81 HTR2C (0.37) SLC6A2SLC6A4SLC6A3CHRNB2CHRNA4
SCHEMBL15918986 0.81 SRD5A1 (0.38) SLC6A2SLC6A4SLC6A3CHRNB2CHRNA4
SCHEMBL356581 0.78 SLC6A2 (0.36) SLC6A2SLC6A4SLC6A3CHRNB2CHRNA4
SCHEMBL10696858 0.78 HTR2C (0.44) SLC6A2SLC6A4CHRNB2CHRNA4HTR2C
SCHEMBL31394732 0.78 ADRA2A (0.40) SLC6A2SLC6A4HTR2CSRD5A1MAPT
SCHEMBL13731973 0.78 LMNA (0.38) CHRNB2CHRNA4KDM4EGAAALDH1A1

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-20090275598-A1 Conformationally constrained 3-(4-hydroxy-phenyl)-substituted-propanoic acids useful for treating metabolic disorders AMGEN INC. (US) 2009-11-05 US disclosed
US-20090275598-A1 Conformationally constrained 3-(4-hydroxy-phenyl)-substituted-propanoic acids useful for treating metabolic disorders AMGEN INC. (US) 2009-11-05 US disclosed
US-7582803-B2 Conformationally constrained 3-(4-hydroxy-phenyl)-substituted-propanoic acids useful for treating metabolic disorders AMGEN INC. (US) 2009-09-01 US disclosed
US-7582803-B2 Conformationally constrained 3-(4-hydroxy-phenyl)-substituted-propanoic acids useful for treating metabolic disorders AMGEN INC. (US) 2009-09-01 US disclosed
US-20070066647-A1 Conformationally constrained 3-(4-hydroxy-phenyl)-substituted-propanoic acids useful for treating metabolic disorders AMGEN ING. (US) 2007-03-22 US disclosed
US-20070066647-A1 Conformationally constrained 3-(4-hydroxy-phenyl)-substituted-propanoic acids useful for treating metabolic disorders AMGEN ING. (US) 2007-03-22 US disclosed
WO-2007033002-A1 CONFORMATIONALLY CONSTRAINED 3- (4-HYDROXY-PHENYL) - SUBSTITUTED-PROPANOIC ACIDS USEFUL FOR TREATING METABOLIC DISORDERS AMGEN INC. (US) 2007-03-22 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 (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-20070066647-A1 Conformationally constrained 3-(4-hydroxy-phenyl)-substituted-propanoic acids useful for treating metabolic disorders PC, PNLIP, PDHX SLC6A2 2495/4885SLC6A4 2637/4885SLC6A3 2682/4885
US-20090275598-A1 Conformationally constrained 3-(4-hydroxy-phenyl)-substituted-propanoic acids useful for treating metabolic disorders PC, PNLIP, PDHX SLC6A2 2495/4885SLC6A4 2637/4885SLC6A3 2682/4885

“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.