SCHEMBL1491624

SCHEMBL1491624

C[C@H](Nc1ccccc1)C(=O)OC1CCCC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.47
MGLL Q99685 1/20 0.47
CYP19A1 P11511 1/20 0.47
MMP2 P08253 2/20 0.45
MMP9 P14780 2/20 0.45
ANPEP P15144 2/20 0.45
LTA4H P09960 1/20 0.45
LAP3 P28838 1/20 0.45
NPEPPS P55786 1/20 0.45
ERAP2 Q6P179 1/20 0.45
ERAP1 Q9NZ08 1/20 0.45
CYP2D6 P10635 3/20 0.43
LMNA P02545 3/20 0.43
CYP1A2 P05177 3/20 0.43
CHRM2 P08172 2/20 0.43
CHRM4 P08173 2/20 0.43
CHRM5 P08912 2/20 0.43
THRB P10828 2/20 0.43
CHRM1 P11229 2/20 0.43
CHRM3 P20309 2/20 0.43

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 SCHEMBL17707257 0.98 FAAH (0.46) FAAHMGLLCYP19A1MMP2MMP9
SCHEMBL28841763 0.98 FAAH (0.49) FAAHMGLLCYP19A1MMP2MMP9
SCHEMBL28986531 0.97 FAAH (0.44) FAAHMGLLCYP19A1MMP2MMP9
SCHEMBL6692826 0.94 CHRM1 (0.46) FAAHMGLLCYP19A1CYP2D6LMNA
SCHEMBL6802651 0.84 CYP19A1 (0.50) CYP19A1LMNAHTT
SCHEMBL28522677 0.83 SMN1; SMN2 (0.51) CYP19A1CYP2D6LMNACYP1A2MEN1
SCHEMBL28841789 0.82 CTSL (0.48) MMP2MMP9CYP2D6LMNACYP1A2
SCHEMBL28841740 0.82 CTSL (0.48) MMP2MMP9CYP2D6LMNACYP1A2
SCHEMBL4411856 0.79 SLC6A3 (0.46) CYP19A1LMNAHTTHPGD
SCHEMBL4411855 0.79 SLC6A3 (0.46) CYP19A1LMNAHTTHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9133104-B2 Enzyme inhibitors CHROMA THERAPEUTICS LTD. (GB) 2015-09-15 US disclosed
US-20140163042-A1 ENZYME INHIBITORS CHROMA THERAPEUTICS LTD. (GB) 2014-06-12 US disclosed
US-20130116318-A1 Enzyme Inhibitors CHROMA THERAPEUTICS LTD. (GB) 2013-05-09 US disclosed
US-7939666-B2 Enzyme inhibitors CHROMA THERAPEUTICS LTD. (GB) 2011-05-10 US disclosed
EP-2301939-A1 Enzyme inhibitors Chroma Therapeutics Limited (GB) 2011-03-30 EP disclosed
US-20090291978-A1 Enzyme Inhibitors CHROMA THERAPEUTICS LTD. (GB) 2009-11-26 US disclosed
EP-1879895-A1 ENZYME INHIBITORS Chroma Therapeutics Limited (GB) 2008-01-23 EP disclosed
WO-2006117549-A1 ENZYME INHIBITORS CHROMA THERAPEUTICS LTD (GB) 2006-11-09 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 (3 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-20130116318-A1 Enzyme Inhibitors HDAC1, HDAC11, HDAC7 FAAH 2797/4885MGLL 3211/4885CYP19A1 533/4885
US-20140163042-A1 ENZYME INHIBITORS HAT1, NR2E1, HDAC3 FAAH 1454/4885MGLL 3119/4885CYP19A1 95/4885
US-20090291978-A1 Enzyme Inhibitors HAT1, NR2E1, NR2C2 FAAH 1664/4885MGLL 3435/4885CYP19A1 152/4885

“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.