SCHEMBL2608919

SCHEMBL2608919

CC(C)COCCN(C)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.38
CYP3A4 P08684 3/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
CYP2C19 P33261 2/20 0.38
MAPT P10636 2/20 0.38
CYP1A2 P05177 2/20 0.38
CYP2D6 P10635 2/20 0.38
TSHR P16473 2/20 0.38
CHRM1 P11229 2/20 0.38
ADRA2B P18089 2/20 0.38
CHRM3 P20309 2/20 0.38
SLC6A2 P23975 2/20 0.38
HTR2A P28223 2/20 0.38
SLC6A4 P31645 2/20 0.38
ADRA1A P35348 2/20 0.38
HRH1 P35367 2/20 0.38
OPRM1 P35372 2/20 0.38
DRD3 P35462 2/20 0.38
SCN1A P35498 2/20 0.38

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
SCHEMBL7734454 0.84 ALDH1A1 (0.34) LMNACYP1A2CYP2D6TSHRCHRM1
SCHEMBL1637985 0.79 ALOX15 (0.43) TSHRHTTSMN1; SMN2ALDH1A1ADRB1
SCHEMBL20160931 0.79 TSHR (0.44) LMNACYP3A4MEN1KMT2ACYP2C19
SCHEMBL9746252 0.77 ADRB2 (0.36) LMNAMEN1KMT2ACYP1A2CYP2D6
SCHEMBL2671430 0.76 USP2 (0.42) MEN1KMT2ASLC6A4HTTALDH1A1
SCHEMBL11675409 0.76 TSHR (0.50) LMNATSHRHTTALDH1A1TAAR1
SCHEMBL9024314 0.76 TSHR (0.53) LMNATSHRSMN1; SMN2ALDH1A1KDM4E
SCHEMBL9746244 0.75 ADRB2 (0.43) MEN1KMT2ASLC6A4ALDH1A1ADRB1
SCHEMBL11679757 0.75 TAAR1 (0.47) CHRM1SLC6A2SLC6A4ADRA1AOPRM1
SCHEMBL9705220 0.75 CHRM2 (0.50) LMNACYP3A4CYP2C19CYP1A2CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120101091-A1 VIRAL POLYMERASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-04-26 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-20120101091-A1 VIRAL POLYMERASE INHIBITORS POLR2A, POLR2H, POLR2E LMNA 1290/4885CYP3A4 1056/4885MEN1 4773/4885

“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.