SCHEMBL1491601

SCHEMBL1491601

COC(=O)CCCOc1cccc(N)c1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.56
CYP3A4 P08684 2/20 0.51
TP53 P04637 1/20 0.51
ALDH1A1 P00352 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
MAPT P10636 1/20 0.47
PDE3B Q13370 3/20 0.46
PDE3A Q14432 3/20 0.46
P2RY12 Q9H244 2/20 0.46
MTNR1A P48039 1/20 0.44
MTNR1B P49286 1/20 0.44
PDE2A O00408 1/20 0.44
HPGD P15428 1/20 0.44
MAOB P27338 1/20 0.44
LMNA P02545 1/20 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
SCHEMBL13214928 0.95 TSHR (0.59) TSHRCYP3A4TP53ALDH1A1PDE3B
SCHEMBL28741212 0.92 TSHR (0.54) TSHRCYP3A4TP53ALDH1A1SMN1; SMN2
SCHEMBL8279022 0.85 TSHR (0.57) TSHRCYP3A4TP53ALDH1A1PDE3B
SCHEMBL7291202 0.84 MTNR1A (0.61) TSHRALDH1A1SMN1; SMN2MTNR1AMTNR1B
SCHEMBL172861 0.83 SMN1; SMN2 (0.66) CYP3A4ALDH1A1SMN1; SMN2MAPTHPGD
SCHEMBL17534257 0.83 CNR1 (0.56) CYP3A4SMN1; SMN2MAPTPDE3BPDE3A
SCHEMBL217079 0.83 CYP3A4 (0.56) TSHRCYP3A4TP53ALDH1A1MAOB
SCHEMBL203998 0.82 PARP1 (0.58)
SCHEMBL4843336 0.82 LOXL2 (0.50) ALDH1A1SMN1; SMN2MAPTPDE3BPDE3A
SCHEMBL6328915 0.82 MRGPRX4 (0.52) ALDH1A1SMN1; SMN2MAPTPDE3BPDE3A

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 27 patents — showing the first 20. 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-20140163042-A1 ENZYME INHIBITORS CHROMA THERAPEUTICS LTD. (GB) 2014-06-12 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-20130116318-A1 Enzyme Inhibitors CHROMA THERAPEUTICS LTD. (GB) 2013-05-09 US disclosed
US-20130116318-A1 Enzyme Inhibitors CHROMA THERAPEUTICS LTD. (GB) 2013-05-09 US disclosed
EP-1879895-B1 ENZYME INHIBITORS CHROMA THERAPEUTICS LTD (GB) 2011-06-08 EP disclosed
EP-1879895-B1 ENZYME INHIBITORS CHROMA THERAPEUTICS LTD (GB) 2011-06-08 EP disclosed
US-7939666-B2 Enzyme inhibitors CHROMA THERAPEUTICS LTD. (GB) 2011-05-10 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
WO-2006117549-A1 ENZYME INHIBITORS CHROMA THERAPEUTICS LTD (GB) 2006-11-09 WO disclosed
EP-1144393-B1 BENZOXAZOLE DERIVATIVES FOR USE AS INTEGRIN INHIBITORS ASTRAZENECA AB (SE) 2004-02-11 EP disclosed
EP-1144393-A3 HETEROCYCLIC DERIVATIVES AND THEIR USE AS INTEGRIN INHIBITOR AstraZeneca AB (SE) 2002-09-11 EP disclosed
US-6441012-B1 BENZOXAZOLE OR BENZTHIAZOLE DERIVATIVES FOR INHIBITING THE INTERACTION BETWEEN CELLULAR ADHESION MOLECULES AND/OR FIBRONECTIN AND THE INTERGRIN RECEPTOR ASTRAZENECA AB (SE) 2002-08-27 US disclosed
EP-1144393-A2 HETEROCYCLIC DERIVATIVES AND THEIR USE AS INTEGRIN INHIBITOR AstraZeneca AB (SE) 2001-10-17 EP disclosed
EP-1133484-A2 HETEROCYCLIC DERIVATIVES AND THEIR USE AS INTEGRIN INHIBITORS AstraZeneca AB (SE) 2001-09-19 EP disclosed
WO-2000005223-A2 HETEROCYCLIC DERIVATIVES AND THEIR USE AS INTEGRIN INHIBITORS ASTRAZENECA AB (SE) 2000-02-03 WO disclosed
WO-2000005224-A2 HETEROCYCLIC DERIVATIVES AND THEIR USE AS INTEGRIN INHIBITOR ASTRAZENECA AB (SE) 2000-02-03 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 (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-20130116318-A1 Enzyme Inhibitors HDAC1, HDAC11, HDAC7 TSHR 3751/4885CYP3A4 1852/4885TP53 342/4885
US-20140163042-A1 ENZYME INHIBITORS HAT1, NR2E1, HDAC3 TSHR 894/4885CYP3A4 522/4885TP53 1898/4885

“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.