SCHEMBL1713633

SCHEMBL1713633

CN(C)Cc1ccc(C(=O)O)cn1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 10/20 0.55
P4HA1 P13674 2/20 0.50
P4HTM Q9NXG6 2/20 0.50
MAPT P10636 1/20 0.49
MIF P14174 1/20 0.48
ALDH1A1 P00352 3/20 0.47
HSD17B10 Q99714 2/20 0.47
GABRP O00591 1/20 0.47
GABRD O14764 1/20 0.47
GABRA1 P14867 1/20 0.47
GABRB1 P18505 1/20 0.47
GABRG2 P18507 1/20 0.47
GABRB3 P28472 1/20 0.47
GABRA5 P31644 1/20 0.47
GABRA3 P34903 1/20 0.47
GABRA2 P47869 1/20 0.47
GABRB2 P47870 1/20 0.47
GABRA4 P48169 1/20 0.47
GABRE P78334 1/20 0.47
GABRA6 Q16445 1/20 0.47

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 SCHEMBL2821116 0.98 HCAR3 (0.54) HCAR3P4HA1P4HTMMAPTMIF
SCHEMBL27810972 0.98 HCAR3 (0.54) HCAR3P4HA1P4HTMMAPTMIF
SCHEMBL12412592 0.87 KMT2A (0.45) HCAR3MAPTALDH1A1HSD17B10KDM4E
SCHEMBL19876773 0.85 P4HA1 (0.53) HCAR3P4HA1P4HTMMAPTMIF
SCHEMBL2706310 0.81 ALDH1A1 (0.46) HCAR3MAPTALDH1A1CYP1A2HPGD
SCHEMBL250023 0.81 MAPK1 (0.56) MAPTALDH1A1HSD17B10KDM4EHPGD
SCHEMBL344135 0.79 MAPT (0.58) HCAR3P4HA1P4HTMMAPTMIF
SCHEMBL6351750 0.79 CA12 (0.47) MAPTALDH1A1CYP1A2CYP2C9HPGD
Hydrochloric Acid SCHEMBL27647127 0.78 MAPT (0.56) HCAR3P4HA1P4HTMMAPTMIF
SCHEMBL2847467 0.78 HCAR3 (0.48) HCAR3P4HA1P4HTMMAPTMIF

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8183263-B2 Heteroaryl substituted thiazoles ACHILLION PHARMACEUTICALS, INC. (US) 2012-05-22 US disclosed
US-20120108576-A1 THIAZOLE COMPOUNDS AND METHODS OF USE ACHILLION PHARMACEUTICALS, INC. (US) 2012-05-03 US disclosed
US-8088806-B2 Thiazole compounds and methods of use ACHILLION PHARMACEUTICALS, INC. (US) 2012-01-03 US disclosed
US-8012998-B2 Pyrrolidine aryl-ether as NK-3 receptor antagonists Hoffmann—La Roche Inc. (US) 2011-09-06 US disclosed
EP-2185540-B1 PYRROLIDINE ARYL-ETHER AS NK3 RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2011-07-20 EP disclosed
CN-101778837-A Pyrrolidine aryl-ether as nk3 receptor antagonists HOFFMANN LA ROCHE 2010-07-14 CN disclosed
EP-2185540-A1 PYRROLIDINE ARYL-ETHER AS NK3 RECEPTOR ANTAGONISTS F. Hoffmann-Roche AG (CH) 2010-05-19 EP disclosed
US-20090041720-A1 HETEROARYL SUBSTITUTED THIAZOLES ACHILLION PHARMACEUTICALS, INC. (US) 2009-02-12 US disclosed
WO-2009019163-A1 PYRROLIDINE ARYL-ETHER AS NK3 RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2009-02-12 WO disclosed
US-20090042896-A1 PYRROLIDINE ARYL-ETHER AS NK3 RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2009-02-12 US disclosed
US-20070004711-A1 Thiazole compounds and methods of use ACHILLION PHARMACEUTICALS, INC. 2007-01-04 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 (4 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-20120108576-A1 THIAZOLE COMPOUNDS AND METHODS OF USE PIGS, CPT1A, SLC10A1 HCAR3 1748/4885P4HA1 446/4885P4HTM 1362/4885
US-20070004711-A1 Thiazole compounds and methods of use PIGS, CPT1A, SLC10A1 HCAR3 1748/4885P4HA1 446/4885P4HTM 1362/4885
US-20090042896-A1 PYRROLIDINE ARYL-ETHER AS NK3 RECEPTOR ANTAGONISTS OPRL1, OPRK1, OPRD1 HCAR3 231/4885P4HA1 601/4885P4HTM 1232/4885
US-20090041720-A1 HETEROARYL SUBSTITUTED THIAZOLES CYP3A43, CYP3A7, HAVCR2 HCAR3 463/4885P4HA1 1028/4885P4HTM 777/4885

“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.