SCHEMBL17006159

SCHEMBL17006159

C[C@H](CCCCOC1(C)CCN(C(=O)OC(C)(C)C)CC1)OCc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.42
ALOX15 P16050 1/20 0.42
TACR1 P25103 1/20 0.42
OPRD1 P41143 1/20 0.42
OPRK1 P41145 1/20 0.42
GPR119 Q8TDV5 2/20 0.41
YAP1 P46937 3/20 0.41
ATM Q13315 1/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
MAPT P10636 1/20 0.40
STS P08842 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
KEAP1 Q14145 1/20 0.38
NFE2L2 Q16236 1/20 0.38
GAA P10253 1/20 0.38
THRB P10828 1/20 0.38
SMN1; SMN2 Q16637 1/20 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
SCHEMBL17006158 1.00 TSHR (0.42) TSHRALOX15TACR1OPRD1OPRK1
SCHEMBL17006200 0.88 SLC1A3 (0.37) MEN1KMT2A
SCHEMBL17006111 0.83 TSHR (0.41) TSHRALOX15TACR1OPRD1OPRK1
SCHEMBL17006112 0.83 TSHR (0.41) TSHRALOX15TACR1OPRD1OPRK1
SCHEMBL17848356 0.82 TACR1 (0.51) TSHRALOX15TACR1OPRD1OPRK1
SCHEMBL17022203 0.82 GPR119 (0.36) TSHRALOX15GPR119MEN1KMT2A
SCHEMBL17019232 0.80 USP2 (0.39) TSHRALOX15GPR119ATMSMN1; SMN2
SCHEMBL17006178 0.79 USP2 (0.38) TSHRALOX15GPR119ATMSMN1; SMN2
SCHEMBL17006179 0.79 USP2 (0.38) TSHRALOX15GPR119ATMSMN1; SMN2
SCHEMBL17006185 0.76 TACR1 (0.39) TACR1MEN1KMT2A

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-9273067-B2 Pyrazolopyrimidine macrocycles as inhibitors of human immunodeficiency virus replication BRISTOL-MYERS SQUIBB COMPANY (US) 2016-03-01 US disclosed
US-20150232481-A1 Pyrazolopyrimidine Macrocycles as Inhibitors of Human Immunodeficiency Virus Replication VIIV HEALTHCARE UK (NO. 5) LIMITED (GB) 2015-08-20 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-20150232481-A1 Pyrazolopyrimidine Macrocycles as Inhibitors of Human Immunodeficiency Virus Replication TYMP, EIF2AK2, MAVS TSHR 4683/4885ALOX15 3164/4885TACR1 4088/4885

“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.