SCHEMBL5774668

SCHEMBL5774668

O=Cc1cccc2c1CCN(C(=O)O)C2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
MAPT P10636 1/20 0.43
TAAR1 Q96RJ0 1/20 0.43
NOTUM Q6P988 1/20 0.41
ABHD6 Q9BV23 5/20 0.40
SMN1; SMN2 Q16637 3/20 0.39
NPC1 O15118 1/20 0.39
TP53 P04637 1/20 0.39
RAB9A P51151 1/20 0.39
HSP90AA1 P07900 1/20 0.38
HSP90AB1 P08238 1/20 0.38
HPGD P15428 5/20 0.36
ALDH1A1 P00352 3/20 0.36
KDM4E B2RXH2 1/20 0.36
HTT P42858 2/20 0.35
LMNA P02545 2/20 0.35
KEAP1 Q14145 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35

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
SCHEMBL31198110 1.00 MEN1 (0.43) MEN1KMT2AMAPTTAAR1NOTUM
SCHEMBL16268475 0.88 MEN1 (0.43) MEN1KMT2AMAPTTAAR1NOTUM
SCHEMBL26923080 0.86 HSP90AA1 (0.40) MEN1KMT2AMAPTTAAR1NOTUM
SCHEMBL28245906 0.84 MAPT (0.43) MEN1KMT2AMAPTTAAR1NOTUM
SCHEMBL22981183 0.82 KCNJ1 (0.37) MEN1KMT2AMAPTTAAR1NOTUM
SCHEMBL22319887 0.82 ABHD6 (0.41) MEN1KMT2AMAPTTAAR1NOTUM
SCHEMBL28931023 0.81 NOTUM (0.36) MEN1KMT2AMAPTTAAR1NOTUM
SCHEMBL29554774 0.80 ESR2 (0.52) MAPTABHD6KDM4E
SCHEMBL5880442 0.80 ESR2 (0.52) MAPTABHD6KDM4E
SCHEMBL2804587 0.80 AKR1C3 (0.50) MEN1KMT2AMAPTTAAR1NOTUM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3004082-A1 CXCR7 RECEPTOR MODULATORS Actelion Pharmaceuticals Ltd. (CH) 2016-04-13 EP disclosed
WO-2014191929-A1 CXCR7 RECEPTOR MODULATORS ACTELION PHARMACEUTICALS LTD (CH) 2014-12-04 WO disclosed
EP-1483257-B1 QUINAZOLINE COMPOUNDS USEFUL IN THERAPY PFIZER LTD (GB) 2006-09-13 EP disclosed
US-6936619-B2 Cardiovascular disorders; antilipemic agents; sexual disorders PFIZER, INC. (US) 2005-08-30 US disclosed
US-20040029859-A1 Compounds useful in therapy PFIZER INC. 2004-02-12 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-20040029859-A1 Compounds useful in therapy ADRA1D, HSD3B1, PTGER1 MEN1 1661/4885KMT2A 3583/4885MAPT 4800/4885

“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.