SCHEMBL565005

SCHEMBL565005

CC(C)CN(Cc1ccc2c(c1)OCCCO2)C(=O)CC(C)NCc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.44
TSHR P16473 6/20 0.44
USP2 O75604 1/20 0.44
SMN1; SMN2 Q16637 6/20 0.43
HPGD P15428 3/20 0.43
RAB9A P51151 3/20 0.43
HSD17B10 Q99714 1/20 0.43
POLB P06746 2/20 0.41
GAA P10253 2/20 0.41
MAPT P10636 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41
NPC1 O15118 3/20 0.40
PKM P14618 1/20 0.40
PAX8 Q06710 1/20 0.40
KLF5 Q13887 1/20 0.40
PTGDR2 Q9Y5Y4 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
CASP3 P42574 1/20 0.40
SENP8 Q96LD8 1/20 0.40

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
SCHEMBL565226 0.87 ALDH1A1 (0.51) ALDH1A1TSHRHPGDRAB9AMAPT
SCHEMBL565643 0.86 ALDH1A1 (0.45) ALDH1A1TSHRUSP2SMN1; SMN2HPGD
SCHEMBL10119879 0.86 ALDH1A1 (0.45) ALDH1A1TSHRUSP2SMN1; SMN2HPGD
SCHEMBL565486 0.86 ALDH1A1 (0.45) ALDH1A1TSHRUSP2SMN1; SMN2HPGD
SCHEMBL565166 0.85 RAB9A (0.45) ALDH1A1TSHRUSP2SMN1; SMN2HPGD
SCHEMBL565214 0.83 TSHR (0.42) ALDH1A1TSHRUSP2SMN1; SMN2HPGD
SCHEMBL565227 0.83 SMN1; SMN2 (0.41) ALDH1A1TSHRUSP2SMN1; SMN2HPGD
SCHEMBL564825 0.82 SMN1; SMN2 (0.43) ALDH1A1TSHRUSP2SMN1; SMN2HPGD
SCHEMBL565373 0.81 TAAR1 (0.41) ALDH1A1TSHRUSP2HPGDPOLB
SCHEMBL565257 0.81 PROKR2 (0.53) ALDH1A1TSHRUSP2SMN1; SMN2HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8722896-B2 Prokineticin receptor antagonists and uses thereof THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2014-05-13 US disclosed
US-8722896-B2 Prokineticin receptor antagonists and uses thereof THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2014-05-13 US disclosed
US-8722896-B2 Prokineticin receptor antagonists and uses thereof THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2014-05-13 US disclosed
US-20120035149-A1 Prokineticin Receptor Antagonists And Uses Thereof THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2012-02-09 US disclosed
US-20120035149-A1 Prokineticin Receptor Antagonists And Uses Thereof THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2012-02-09 US disclosed
US-20120035149-A1 Prokineticin Receptor Antagonists And Uses Thereof THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2012-02-09 US disclosed
WO-2010077976-A2 PROKINETICIN RECEPTOR ANTAGONISTS AND USES THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2010-07-08 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 (1 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-20120035149-A1 Prokineticin Receptor Antagonists And Uses Thereof PROKR2, PROKR1, GIPR ALDH1A1 4725/4885TSHR 291/4885USP2 3885/4885

“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.