SCHEMBL20371087

SCHEMBL20371087

CC[C@H](C)Oc1ccc(F)cc1[C@@H](C)N

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MCHR1 Q99705 1/20 0.39
▸ SLC2A1 P11166 1/20 0.36
▸ HTR2A P28223 4/20 0.35
▸ SLC6A4 P31645 2/20 0.35
▸ KCNH2 Q12809 2/20 0.35
▸ HTR2C P28335 1/20 0.34
▸ DHODH Q02127 1/20 0.33
▸ MKNK2 Q9HBH9 1/20 0.33
▸ DPP8 Q6V1X1 3/20 0.33
▸ DPP9 Q86TI2 3/20 0.33
▸ DPP7 Q9UHL4 3/20 0.33
▸ DPP4 P27487 2/20 0.33
▸ HDAC1 Q13547 1/20 0.33
▸ HDAC2 Q92769 1/20 0.33
▸ HDAC8 Q9BY41 1/20 0.33
▸ HRH4 Q9H3N8 1/20 0.33
▸ JAK2 O60674 1/20 0.33

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
SCHEMBL18376038 0.86 HTR2A (0.34) HTR2ASLC6A4KCNH2HTR2CJAK2
SCHEMBL22646883 0.81 HTR2A (0.37) HTR2ASLC6A4KCNH2HTR2CJAK2
SCHEMBL23070821 0.79 SMN1; SMN2 (0.37) MKNK2DPP9
SCHEMBL23070820 0.79 SMN1; SMN2 (0.37) MKNK2DPP9
SCHEMBL23070818 0.79 SMN1; SMN2 (0.37) MKNK2DPP9
SCHEMBL20337804 0.78 MTNR1A (0.42) MKNK2
Hydrochloric Acid SCHEMBL31410913 0.78 SMN1; SMN2 (0.36) MKNK2DPP9
SCHEMBL20337803 0.78 MTNR1A (0.42) MKNK2
SCHEMBL20337805 0.78 MTNR1A (0.42) MKNK2
SCHEMBL669891 0.78 CYP2D6 (0.49) HTR2ASLC6A4KCNH2HTR2C

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-20230295184-A1 DIARYL MACROCYCLE POLYMORPH Turning Point Therapeutics, Inc. 2023-09-21 — — US disclosed
US-20180194777-A1 DIARYL MACROCYCLE POLYMORPH Turning Point Therapeutics, Inc. 2018-07-12 — — 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 (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-20180194777-A1 DIARYL MACROCYCLE POLYMORPH PKD1, CYP7B1, BRCA1 MCHR1 4010/4885SLC2A1 4236/4885HTR2A 3401/4885
US-20230295184-A1 DIARYL MACROCYCLE POLYMORPH PKD1, CYP7B1, BRCA1 MCHR1 4010/4885SLC2A1 4236/4885HTR2A 3401/4885

“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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