SCHEMBL565643

SCHEMBL565643

CC(C)CN(Cc1ccc2c(c1)OCCCO2)C(=O)[C@@H](C)NCc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.45
TSHR P16473 6/20 0.45
USP2 O75604 1/20 0.45
HPGD P15428 3/20 0.44
RAB9A P51151 2/20 0.44
HSD17B10 Q99714 1/20 0.44
SMN1; SMN2 Q16637 5/20 0.44
KDM4E B2RXH2 2/20 0.44
GAA P10253 1/20 0.43
MAPT P10636 2/20 0.42
NPSR1 Q6W5P4 1/20 0.42
PROKR2 Q8NFJ6 1/20 0.42
NPC1 O15118 2/20 0.41
PKM P14618 1/20 0.41
PAX8 Q06710 1/20 0.41
KLF5 Q13887 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
CASP3 P42574 1/20 0.41
SENP8 Q96LD8 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
SCHEMBL565486 1.00 ALDH1A1 (0.45) ALDH1A1TSHRUSP2HPGDRAB9A
SCHEMBL10119879 1.00 ALDH1A1 (0.45) ALDH1A1TSHRUSP2HPGDRAB9A
SCHEMBL565475 0.87 PROKR2 (0.56) ALDH1A1TSHRUSP2HPGDRAB9A
SCHEMBL565858 0.87 PROKR2 (0.56) ALDH1A1TSHRUSP2HPGDRAB9A
SCHEMBL10119874 0.87 PROKR2 (0.56) ALDH1A1TSHRUSP2HPGDRAB9A
SCHEMBL565005 0.86 ALDH1A1 (0.44) ALDH1A1TSHRUSP2HPGDRAB9A
SCHEMBL565257 0.86 PROKR2 (0.53) ALDH1A1TSHRUSP2HPGDRAB9A
SCHEMBL565166 0.82 RAB9A (0.45) ALDH1A1TSHRUSP2HPGDRAB9A
SCHEMBL10107603 0.82 TSHR (0.53) ALDH1A1TSHRUSP2HPGDRAB9A
SCHEMBL565096 0.81 PROKR2 (0.41) ALDH1A1TSHRUSP2HPGDRAB9A

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 3 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-20120035149-A1 Prokineticin Receptor Antagonists And Uses Thereof THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2012-02-09 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 (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.