SCHEMBL565564

SCHEMBL565564

CC(C)C(N)CCc1ccc2c(c1)OCCCO2

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 4/20 0.48
SLC6A4 P31645 3/20 0.48
SLC6A2 P23975 2/20 0.48
SLC6A3 Q01959 2/20 0.48
LMNA P02545 2/20 0.39
CYP2D6 P10635 1/20 0.39
KDM1A O60341 1/20 0.38
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
AOC3 Q16853 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
NPC1 O15118 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
CASP3 P42574 1/20 0.37
RAB9A P51151 1/20 0.37
SENP8 Q96LD8 1/20 0.37
SENP7 Q9BQF6 1/20 0.37
SENP6 Q9GZR1 1/20 0.37
TDP1 Q9NUW8 1/20 0.37

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
SCHEMBL2995202 0.84 TAAR1 (0.45) TAAR1SLC6A4SLC6A2SLC6A3LMNA
SCHEMBL5673567 0.78 TAAR1 (0.76) TAAR1SLC6A4SLC6A2SLC6A3CYP2D6
SCHEMBL29829182 0.76 TAAR1 (0.73) TAAR1SLC6A4SLC6A2SLC6A3LMNA
SCHEMBL14103267 0.76 TAAR1 (0.49) TAAR1LMNACYP2D6KDM1AMAOA
SCHEMBL20356528 0.76 TAAR1 (0.73) TAAR1SLC6A4SLC6A2SLC6A3LMNA
SCHEMBL29449712 0.76 TAAR1 (0.49) TAAR1LMNACYP2D6KDM1AMAOA
SCHEMBL987525 0.75 TAAR1 (0.71) TAAR1SLC6A4SLC6A2SLC6A3CYP2D6
Hydrochloric Acid SCHEMBL29097149 0.74 TAAR1 (0.71) TAAR1SLC6A4SLC6A2SLC6A3LMNA
SCHEMBL12775573 0.74 TAAR1 (0.56) TAAR1SLC6A4SLC6A2SLC6A3CYP2D6
SCHEMBL20382761 0.74 TAAR1 (0.44) TAAR1SLC6A4SLC6A2SLC6A3LMNA

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 2 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-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 TAAR1 1255/4885SLC6A4 1392/4885SLC6A2 709/4885

“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.