SCHEMBL18506939

SCHEMBL18506939

O=S(=O)(NCCCN1CCC(N2CCCCC2)CC1)c1ccc(-c2ccc(OC(F)(F)F)cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CCR1 P32246 1/20 0.54
▸ HTR7 P34969 11/20 0.53
▸ HTR2A P28223 8/20 0.53
▸ HTR6 P50406 7/20 0.53
▸ DRD2 P14416 6/20 0.53
▸ L3MBTL1 Q9Y468 2/20 0.49
▸ MBTD1 Q05BQ5 1/20 0.49
▸ HTR1A P08908 2/20 0.45
▸ HTR2C P28335 2/20 0.45
▸ HRH3 Q9Y5N1 2/20 0.44
▸ KDM4E B2RXH2 1/20 0.43
▸ LMNA P02545 1/20 0.43
▸ GAA P10253 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL18507066 0.88 HTR7 (0.53) CCR1HTR7HTR2AHTR6L3MBTL1
SCHEMBL17194300 0.88 HTR7 (0.61) CCR1HTR7HTR2AHTR6L3MBTL1
SCHEMBL18501758 0.87 L3MBTL1 (0.54) CCR1HTR7HTR2AHTR6DRD2
SCHEMBL18502069 0.86 MBTD1 (0.55) HTR7L3MBTL1MBTD1HTR1AKDM4E
SCHEMBL18507070 0.85 HTR7 (0.58) CCR1HTR7HTR2AHTR6DRD2
SCHEMBL18507122 0.85 HTR7 (0.50) CCR1HTR7HTR2AHTR6L3MBTL1
SCHEMBL18502084 0.85 KMT2A (0.60) CCR1HTR7L3MBTL1MBTD1HRH3
SCHEMBL17194302 0.85 L3MBTL1 (0.70) CCR1HTR7HTR2AL3MBTL1MBTD1
SCHEMBL18502057 0.83 MBTD1 (0.52) HTR7HTR2AL3MBTL1MBTD1HTR1A
SCHEMBL18506938 0.83 L3MBTL1 (0.52) CCR1HTR7L3MBTL1MBTD1KDM4E

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-9809602-B2 Compounds for treating viral infections INSTITUT PASTEUR KOREA (KR) 2017-11-07 — — US disclosed
US-20170044181-A1 COMPOUNDS FOR TREATING VIRAL INFECTIONS INSTITUT PASTEUR KOREA (KR) 2017-02-16 — — 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-20170044181-A1 COMPOUNDS FOR TREATING VIRAL INFECTIONS HAVCR2, MAVS, EIF2AK2 CCR1 425/4885HTR7 4489/4885HTR2A 4466/4885

“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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