SCHEMBL973881

SCHEMBL973881

CC(=O)C(N)C1(c2ccccc2)CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.54
ALOX15 P16050 1/20 0.54
ATM Q13315 1/20 0.54
OPRD1 P41143 1/20 0.50
OPRK1 P41145 1/20 0.50
TACR1 P25103 1/20 0.47
GPR119 Q8TDV5 1/20 0.46
JAK2 O60674 2/20 0.44
JAK1 P23458 2/20 0.44
CCR5 P51681 2/20 0.43
KDM4E B2RXH2 1/20 0.42
PKM P14618 1/20 0.42
USP30 Q70CQ3 1/20 0.42
RORC P51449 2/20 0.42
SCD5 Q86SK9 1/20 0.41
OPRM1 P35372 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
SCHEMBL17886660 0.85 TSHR (0.60) TSHRALOX15ATMOPRD1OPRK1
SCHEMBL17886656 0.81 TSHR (0.54) TSHRALOX15ATMOPRD1OPRK1
SCHEMBL18627496 0.81 MEN1 (0.50) TSHRALOX15ATMOPRD1OPRK1
SCHEMBL10324681 0.80 TSHR (0.56) TSHRALOX15ATMOPRD1OPRK1
SCHEMBL3600635 0.80 TSHR (0.48) TSHRALOX15ATMOPRD1OPRK1
SCHEMBL16565388 0.80 TSHR (0.53) TSHRALOX15ATMOPRD1OPRK1
SCHEMBL13543984 0.79 TSHR (0.64) TSHRALOX15ATMOPRD1OPRK1
SCHEMBL3246933 0.79 TSHR (0.57) TSHRALOX15ATMOPRD1OPRK1
SCHEMBL240381 0.79 TSHR (0.57) TSHRALOX15ATMOPRD1OPRK1
SCHEMBL6543780 0.78 TSHR (0.63) TSHRALOX15ATMOPRD1OPRK1

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
CN-104069112-A Substituted piperidino-dihydrothienopyrimidines BOEHRINGER INGELHEIM INT 2014-10-01 CN disclosed
US-8754073-B2 Substituted piperazino-dihydrothienopyrimidines BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-06-17 US disclosed
US-20110021501-A1 SUBSTITUTED PIPERAZINO-DIHYDROTHIENOPYRIMIDINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-01-27 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-20110021501-A1 SUBSTITUTED PIPERAZINO-DIHYDROTHIENOPYRIMIDINES DPYD, P2RX1, P2RX5 TSHR 1555/4885ALOX15 1596/4885ATM 2053/4885

“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.