SCHEMBL20600960

SCHEMBL20600960

CC(C)CC(NC(=O)c1ccc(F)cc1)C1CCN(C(=O)Oc2ccc(F)cc2)CC1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.45
CCR1 P32246 3/20 0.43
ALDH1A1 P00352 1/20 0.43
HPGD P15428 1/20 0.43
IDO1 P14902 2/20 0.41
HRH3 Q9Y5N1 1/20 0.41
CTSL P07711 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
KCNH2 Q12809 1/20 0.41
MAPT P10636 1/20 0.41
TSHR P16473 1/20 0.41
SMYD3 Q9H7B4 1/20 0.41
KMT2A Q03164 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
SCHEMBL20600920 0.95 CCR1 (0.51) POLBCCR1ALDH1A1IDO1KCNH2
SCHEMBL20600924 0.95 GAA (0.48) CCR1CTSLTSHR
SCHEMBL20600987 0.95 GAA (0.48) CCR1CTSLTSHR
SCHEMBL20600927 0.95 GAA (0.48) CCR1CTSLTSHR
SCHEMBL20601014 0.92 MGLL (0.52) MAPTKMT2A
SCHEMBL20600896 0.89 FAAH (0.44) POLBCCR1ALDH1A1HPGDIDO1
SCHEMBL20600965 0.89 HSD11B1 (0.47) CTSLKMT2A
SCHEMBL20600886 0.87 GAA (0.53) CCR1CYP2C9TSHRKMT2A
SCHEMBL20601106 0.87 GAA (0.53) CCR1CYP2C9TSHRKMT2A
SCHEMBL20600887 0.87 GAA (0.53) CCR1CYP2C9TSHRKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10927078-B2 Modulators of indoleamine 2,3-dioxygenase GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2021-02-23 US disclosed
US-20200165201-A1 MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2020-05-28 US disclosed
EP-3645520-A1 MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE GlaxoSmithKline Intellectual Property Development Limited (GB) 2020-05-06 EP disclosed
CN-110709391-A Modulators of indoleamine2, 3-dioxygenase 葛兰素史克知识产权开发有限公司 2020-01-17 CN disclosed
WO-2019003141-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 (2 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-20200165201-A1 MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE IDO1, IDO2, TPH1 POLB 3701/4885CCR1 1565/4885ALDH1A1 816/4885
US-10927078-B2 Modulators of indoleamine 2,3-dioxygenase IDO1, IDO2, TPH1 POLB 3701/4885CCR1 1565/4885ALDH1A1 816/4885

“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.