SCHEMBL16625845

SCHEMBL16625845

COc1cc(Br)c2c(c1O)[C@H](c1ccccc1N)N1CCc3cc(CO)ccc3[C@@H]1C2

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DRD1 P21728 11/20 0.36
DRD5 P21918 2/20 0.36
ALDH1A1 P00352 3/20 0.36
USP2 O75604 1/20 0.36
KCNH2 Q12809 1/20 0.36
DRD3 P35462 5/20 0.35
DRD2 P14416 6/20 0.34
MAPK1 P28482 2/20 0.34
MAPT P10636 1/20 0.34
ADRA1A P35348 1/20 0.34
HTR1A P08908 1/20 0.34
TP53 P04637 1/20 0.34
ALOX15 P16050 1/20 0.34

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
SCHEMBL16625841 0.93 DRD1 (0.40) DRD1DRD5ALDH1A1USP2KCNH2
SCHEMBL16625842 0.89 KCNH2 (0.39) DRD1ALDH1A1USP2KCNH2DRD3
SCHEMBL16627016 0.89 ADRA1A (0.45) DRD1DRD5ALDH1A1USP2DRD3
SCHEMBL16625844 0.83 KCNH2 (0.52) ALDH1A1KCNH2MAPTALOX15
SCHEMBL16627561 0.81 ADRA1A (0.47) DRD1DRD5ALDH1A1USP2DRD3
SCHEMBL16627018 0.78 ADRA1A (0.47) DRD1DRD5ALDH1A1USP2DRD3
SCHEMBL16625830 0.76 KCNH2 (0.48) DRD1ALDH1A1USP2KCNH2DRD2
SCHEMBL16627558 0.74 KCNH2 (0.53) DRD1DRD5ALDH1A1KCNH2DRD3
SCHEMBL16625822 0.71 KCNH2 (0.64) DRD1ALDH1A1KCNH2DRD2MAPT
SCHEMBL16625802 0.71 USP2 (0.47) DRD1DRD5ALDH1A1USP2KCNH2

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-9181237-B2 Substituted berbines and their synthesis MALLINCKRODT LLC (US) 2015-11-10 US disclosed
US-20150099772-A1 SUBSTITUTED BERBINES AND THEIR SYNTHESIS SUCAMPO PHARMA AMERICAS LLC 2015-04-09 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-20150099772-A1 SUBSTITUTED BERBINES AND THEIR SYNTHESIS TYMS, NME2, TYMP DRD1 2936/4885DRD5 3036/4885ALDH1A1 1744/4885

“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.