SCHEMBL181269

SCHEMBL181269

C[C@](N)(Cc1ccccc1)C(=O)OC1CCCC1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 9/20 0.45
CYP19A1 P11511 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.42
HIF1A Q16665 1/20 0.42
SLC6A2 P23975 1/20 0.42
TAAR1 Q96RJ0 1/20 0.42
BLM P54132 1/20 0.42
CHRM2 P08172 3/20 0.41
LMNA P02545 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C19 P33261 1/20 0.41
SLC6A4 P31645 1/20 0.41
KCNH2 Q12809 1/20 0.41

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
SCHEMBL28656077 0.84 CYP19A1 (0.49) CHRM3CYP19A1CHRM2LMNACYP2D6
SCHEMBL28559393 0.81 CYP19A1 (0.44) CHRM3CYP19A1TAAR1
SCHEMBL28647858 0.79 CHRM3 (0.46) CHRM3CYP19A1CHRM2LMNACYP2D6
Hydrochloric Acid SCHEMBL29006951 0.79 CHRM3 (0.44) CHRM3SMN1; SMN2HIF1ASLC6A2TAAR1
Hydrochloric Acid SCHEMBL29006948 0.79 CHRM3 (0.44) CHRM3SMN1; SMN2HIF1ASLC6A2TAAR1
SCHEMBL28658742 0.77 CYP19A1 (0.42) CHRM3CYP19A1CHRM2LMNACYP2D6
SCHEMBL1632109 0.77 SLC6A2 (0.52) SMN1; SMN2HIF1ASLC6A2TAAR1BLM
SCHEMBL8745476 0.77 SLC6A2 (0.52) SMN1; SMN2HIF1ASLC6A2TAAR1BLM
SCHEMBL5180745 0.77 SLC6A2 (0.52) SMN1; SMN2HIF1ASLC6A2TAAR1BLM
SCHEMBL28570731 0.76 CYP19A1 (0.41) CHRM3CYP19A1CHRM2LMNACYP2D6

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
US-20140155439-A1 ENZYME INHIBITORS CHROMA THERAPEUTICS LTD. (GB) 2014-06-05 US disclosed
US-20140155439-A1 ENZYME INHIBITORS CHROMA THERAPEUTICS LTD. (GB) 2014-06-05 US disclosed
US-20140155439-A1 ENZYME INHIBITORS CHROMA THERAPEUTICS LTD. (GB) 2014-06-05 US disclosed
US-20130303576-A1 ENZYME INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2013-11-14 US disclosed
US-20130303576-A1 ENZYME INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2013-11-14 US disclosed
US-20130303576-A1 ENZYME INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2013-11-14 US disclosed
US-20120149736-A1 ENZYME INHIBITORS CHROMA THERAPEUTICS LTD. (GB) 2012-06-14 US disclosed
US-20120149736-A1 ENZYME INHIBITORS CHROMA THERAPEUTICS LTD. (GB) 2012-06-14 US disclosed
US-20120149736-A1 ENZYME INHIBITORS CHROMA THERAPEUTICS LTD. (GB) 2012-06-14 US disclosed
EP-2401257-A1 ENZYME INHIBITORS Chroma Therapeutics Ltd. (GB) 2012-01-04 EP disclosed
WO-2010097586-A1 ENZYME INHIBITORS CHROMA THERAPEUTICS LTD. (GB) 2010-09-02 WO disclosed
WO-2010097586-A1 ENZYME INHIBITORS CHROMA THERAPEUTICS LTD. (GB) 2010-09-02 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-20130303576-A1 ENZYME INHIBITORS HDAC1, HDAC4, HDAC3 CHRM3 479/4885CYP19A1 387/4885SMN1; SMN2 2429/4885
US-20140155439-A1 ENZYME INHIBITORS HDAC4, HDAC1, HDAC3 CHRM3 659/4885CYP19A1 577/4885SMN1; SMN2 2931/4885
US-20120149736-A1 ENZYME INHIBITORS HAT1, HDAC1, NAT1 CHRM3 633/4885CYP19A1 534/4885SMN1; SMN2 2289/4885

“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.