SCHEMBL12921206

SCHEMBL12921206

CCC[C@H](CO)Nc1nc(N2CCC(c3ccc(C)cc3)CC2)nc2c1[S+]([O-])CC2

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CRHR1 P34998 2/20 0.32
▸ KCNH2 Q12809 2/20 0.31
▸ CNR1 P21554 1/20 0.31
▸ TLR8 Q9NR97 2/20 0.30
▸ TLR7 Q9NYK1 1/20 0.30

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
SCHEMBL186581 0.92 CCR1 (0.35) —
SCHEMBL10266442 0.92 TLR8 (0.33) KCNH2TLR8TLR7
SCHEMBL10268880 0.87 CRHR1 (0.32) CRHR1
SCHEMBL12921203 0.86 ALDH1A1 (0.32) —
SCHEMBL4072273 0.80 CETP (0.37) CRHR1TLR8TLR7
SCHEMBL591223 0.80 TLR8 (0.32) CRHR1TLR8TLR7
SCHEMBL12921205 0.80 ALDH1A1 (0.30) —
SCHEMBL9267989 0.79 TLR8 (0.35) CRHR1KCNH2TLR8TLR7
SCHEMBL187793 0.79 CCR1 (0.34) KCNH2
SCHEMBL7708685 0.79 CCR1 (0.34) KCNH2

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-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 CRHR1 2435/4885KCNH2 1179/4885CNR1 199/4885

“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.

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