Valine

Valine

SCHEMBL4263389

CC(C)[C@H](N)C(=O)O.O=C1CCc2ccccc21

nearest known ligand 0.46

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.46
CYP2A6 P11509 1/20 0.46
MAOA P21397 1/20 0.46
SLC7A5 Q01650 1/20 0.46
AKR1B1 P15121 1/20 0.44
CES1 P23141 1/20 0.42
SRD5A1 P18405 1/20 0.40
SRD5A2 P31213 1/20 0.40
PTAFR P25105 1/20 0.39
XIAP P98170 1/20 0.39
GRM5 P41594 1/20 0.38
SDCBP O00560 1/20 0.38
SDC2 P34741 1/20 0.38
TP53 P04637 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
LMNA P02545 2/20 0.37
MEN1 O00255 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C19 P33261 1/20 0.37
KMT2A Q03164 1/20 0.37

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
Acetic Acid SCHEMBL10595556 0.80 MAOB (0.59) MAOBCYP2A6MAOACES1SRD5A1
Anthraquinone SCHEMBL27983859 0.80 SLC7A5 (0.60) SLC7A5LMNAMEN1KMT2APKM
Anthraquinone SCHEMBL3654040 0.80 SLC7A5 (0.60) SLC7A5LMNAMEN1KMT2APKM
Valine SCHEMBL10425187 0.79 SLC7A5 (0.54) SLC7A5MEN1CYP2D6CYP2C19KMT2A
Methylamine SCHEMBL27578982 0.78 MAOA (0.65) MAOBCYP2A6MAOACES1SRD5A1
Benzene SCHEMBL28357254 0.78 MAOB (0.71) MAOBCYP2A6MAOACES1SRD5A1
SCHEMBL1268680 0.76 MAOA (0.74) MAOBCYP2A6MAOACES1SRD5A1
SCHEMBL29353311 0.76 MAOA (0.74) MAOBCYP2A6MAOACES1SRD5A1
SCHEMBL24746 0.76 MAOA (0.74) MAOBCYP2A6MAOACES1SRD5A1
Valine SCHEMBL9547786 0.76 SLC7A5 (0.46) SLC7A5AKR1B1TP53SMN1; SMN2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3074375-B1 NEW INDANYLOXYPHENYLCYCLOPROPANECARBOXYLIC ACIDS BOEHRINGER INGELHEIM INT (DE) 2018-04-04 EP disclosed
EP-2855419-B1 NEW INDANYLOXYPHENYLCYCLOPROPANECARB OXYLIC ACIDS BOEHRINGER INGELHEIM INT (DE) 2017-03-01 EP disclosed
EP-3074375-A1 NEW INDANYLOXYPHENYLCYCLOPROPANECARBOXYLIC ACIDS Boehringer Ingelheim International GmbH (DE) 2016-10-05 EP disclosed
US-9308194-B2 Indanyloxyphenylcyclopropanecarboxylic acids BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-04-12 US disclosed
WO-2015078802-A1 NEW INDANYLOXYPHENYLCYCLOPROPANECARBOXYLIC ACIDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-06-04 WO disclosed
US-20150148347-A1 INDANYLOXYPHENYLCYCLOPROPANECARBOXYLIC ACIDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-05-28 US disclosed
EP-2855419-A1 NEW INDANYLOXYPHENYLCYCLOPROPANECARB OXYLIC ACIDS Boehringer Ingelheim International GmbH (DE) 2015-04-08 EP disclosed
US-8633182-B2 Indanyloxyphenylcyclopropanecarboxylic acids BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-01-21 US disclosed
WO-2013178575-A1 NEW INDANYLOXYPHENYLCYCLOPROPANECARB OXYLIC ACIDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-12-05 WO disclosed
US-20130324514-A1 INDANYLOXYPHENYLCYCLOPROPANECARBOXYLIC ACIDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-12-05 US disclosed
WO-2009053443-A2 INDANE COMPOUNDS FERRER INTERNACIONAL S.A. (ES) 2009-04-30 WO disclosed
US-4172093-A Pharmacodynamically active indan derivatives AB KABI (SE) 1979-10-23 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-20130324514-A1 INDANYLOXYPHENYLCYCLOPROPANECARBOXYLIC ACIDS GPR119, GPR65, INSR MAOB 3777/4885CYP2A6 824/4885MAOA 4023/4885
US-20150148347-A1 INDANYLOXYPHENYLCYCLOPROPANECARBOXYLIC ACIDS GPR119, INSR, GPR65 MAOB 3872/4885CYP2A6 993/4885MAOA 4002/4885

“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.