SCHEMBL20601546

SCHEMBL20601546

COC(=O)C1(c2ccc(F)cc2)CC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 2/20 0.52
ALDH1A1 P00352 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
MAPT P10636 2/20 0.49
LMNA P02545 2/20 0.44
HSD11B1 P28845 4/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
POLB P06746 1/20 0.42
RECQL P46063 1/20 0.42
BLM P54132 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
HDAC1 Q13547 1/20 0.41
APP P05067 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
OPRK1 P41145 1/20 0.40
OPRD1 P41143 1/20 0.40

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
SCHEMBL4944766 0.93 ALDH1A1 (0.57) OPRM1ALDH1A1SMN1; SMN2MAPTLMNA
SCHEMBL31117190 0.93 ALDH1A1 (0.53) OPRM1ALDH1A1SMN1; SMN2MAPTLMNA
SCHEMBL21726313 0.91 ALDH1A1 (0.56) OPRM1ALDH1A1SMN1; SMN2MAPTLMNA
SCHEMBL11047897 0.89 OPRM1 (0.47) OPRM1ALDH1A1SMN1; SMN2MAPTLMNA
SCHEMBL31368038 0.89 OPRM1 (0.51) OPRM1ALDH1A1SMN1; SMN2MAPTLMNA
Hydrochloric Acid SCHEMBL31368108 0.87 OPRM1 (0.50) OPRM1ALDH1A1SMN1; SMN2MAPTLMNA
SCHEMBL8568522 0.87 OPRM1 (0.71) OPRM1KMT2AOPRK1OPRD1
SCHEMBL16699935 0.86 OPRM1 (0.43) OPRM1ALDH1A1SMN1; SMN2MAPTLMNA
SCHEMBL16699026 0.84 SMN1; SMN2 (0.43) OPRM1ALDH1A1SMN1; SMN2MAPTLMNA
SCHEMBL1464894 0.83 CA12 (0.44) OPRM1ALDH1A1SMN1; SMN2HSD11B1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210139467-A1 MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2021-05-13 US disclosed
US-20210139467-A1 MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2021-05-13 US disclosed
EP-3645512-A1 MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE GlaxoSmithKline Intellectual Property Development Limited (GB) 2020-05-06 EP disclosed
CN-110785408-A Modulators of indoleamine2, 3-dioxygenase 葛兰素史克知识产权开发有限公司 2020-02-11 CN disclosed
WO-2019003143-A1 MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2019-01-03 WO disclosed
WO-2019003143-A1 MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2019-01-03 WO 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-20210139467-A1 MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE IDO1, IDO2, TPH1 OPRM1 295/4885ALDH1A1 816/4885SMN1; SMN2 2957/4885

“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.