SCHEMBL5896014

SCHEMBL5896014

C[SiH](C)OC(CC1(c2cc(Cc3ccccc3)n[nH]2)CCN(C(=O)OC(C)(C)C)CC1)C(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.41
ALOX15 P16050 1/20 0.41
TACR1 P25103 1/20 0.41
PARP1 P09874 7/20 0.40
TNKS O95271 3/20 0.40
TNKS2 Q9H2K2 3/20 0.40
OPRD1 P41143 1/20 0.39
OPRK1 P41145 1/20 0.39
GPR119 Q8TDV5 2/20 0.37
ACHE P22303 1/20 0.37
GRIA1 P42261 1/20 0.36
CCR5 P51681 1/20 0.36
ATM Q13315 1/20 0.36

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
SCHEMBL5895177 0.82 TACR1 (0.46) TSHRALOX15TACR1PARP1TNKS
SCHEMBL5896006 0.78 TACR1 (0.42) TSHRALOX15TACR1PARP1TNKS
SCHEMBL5763660 0.70 HTT (0.58) GPR119
SCHEMBL5894893 0.67 TACR1 (0.46) TSHRALOX15TACR1OPRD1OPRK1
SCHEMBL29383287 0.66 CCR5 (0.42) TACR1PARP1TNKSTNKS2OPRD1
SCHEMBL23849296 0.65 TSHR (0.51) TSHRALOX15TACR1OPRD1OPRK1
SCHEMBL17886659 0.65 TACR1 (0.61) TSHRALOX15TACR1OPRD1OPRK1
SCHEMBL14314354 0.64 OPRD1 (0.49) TSHRALOX15OPRD1OPRK1GPR119
SCHEMBL29857484 0.64 ACACB (0.40) TACR1PARP1TNKSTNKS2OPRD1
SCHEMBL23247227 0.64 ACACB (0.40) TACR1PARP1TNKSTNKS2OPRD1

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-7091211-B2 Cyclopentyl modulators of chemokine receptor activity MERCK & CO., INC. (US) 2006-08-15 US disclosed
US-20050070609-A1 Cyclopentyl modulators of chemokine receptor activity MERCK SHARP & DOHME CORP. 2005-03-31 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-20050070609-A1 Cyclopentyl modulators of chemokine receptor activity CCR5, CXCR1, ACKR3 TSHR 1067/4885ALOX15 2537/4885TACR1 40/4885

“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.