SCHEMBL3131901

SCHEMBL3131901

O=C(O)NCCC(O)c1cccc(NCC2(O)CCCCC2)c1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 1/20 0.36
KMT2A Q03164 1/20 0.35
P2RX7 Q99572 7/20 0.35
EPHX2 P34913 1/20 0.35
CASR P41180 3/20 0.35
TP53 P04637 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
ADRB2 P07550 1/20 0.33
ADRB1 P08588 1/20 0.33
ADRB3 P13945 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
CNR2 P34972 1/20 0.33
MAPT P10636 1/20 0.33

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
SCHEMBL2150921 0.85 OPRM1 (0.33) ROCK2KMT2A
SCHEMBL3124912 0.85 IDO1 (0.39) CYP3A4CYP2C19CNR2
Hydrochloric Acid SCHEMBL2151009 0.84 OPRM1 (0.32) ROCK2
SCHEMBL2150689 0.83 SLC6A2 (0.32) ROCK2
SCHEMBL2173936 0.83 IDO1 (0.40) KMT2ACYP3A4CYP2C19
SCHEMBL2150792 0.83 CASR (0.33) KMT2AEPHX2CASRMAPT
SCHEMBL15576255 0.82 OPRM1 (0.37) ROCK2KMT2A
SCHEMBL15576260 0.81 OPRM1 (0.35) KMT2AADRB2ADRB1ADRB3
SCHEMBL1710762 0.79 SMN1; SMN2 (0.34) ROCK2KMT2AP2RX7EPHX2TP53
SCHEMBL1710722 0.78 SMN1; SMN2 (0.35) KMT2AEPHX2CASRTP53SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160145198-A1 COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS ACUCELA INC. 2016-05-26 US disclosed
US-9193669-B2 Compounds for treating ophthalmic diseases and disorders ACUCELA INC. (US) 2015-11-24 US disclosed
US-20140228443-A1 COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS ACUCELA INC. (US) 2014-08-14 US disclosed
US-8674137-B2 Compounds for treating ophthalmic diseases and disorders ACUCELA INC. (US) 2014-03-18 US disclosed
US-20100113539-A1 COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS ACUCELA, INC. (US) 2010-05-06 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 (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-20100113539-A1 COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS PDE6D, CLN6, ALDH1A2 ROCK2 1063/4885KMT2A 4546/4885P2RX7 2475/4885
US-20160145198-A1 COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS PDE6D, CLN6, ALDH1A2 ROCK2 1063/4885KMT2A 4546/4885P2RX7 2475/4885
US-20140228443-A1 COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS PDE6D, CLN6, ALDH1A2 ROCK2 1063/4885KMT2A 4546/4885P2RX7 2475/4885

“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.