SCHEMBL9917475

SCHEMBL9917475

O[C@@H]1CCN(CCCOc2nn(Cc3ccc(Cl)cc3)c3ccc(Cl)cc23)C1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 3/20 0.43
HRH3 Q9Y5N1 4/20 0.41
ACHE P22303 1/20 0.41
HRH2 P25021 2/20 0.40
HRH1 P35367 2/20 0.40
LTA4H P09960 1/20 0.39
MCHR1 Q99705 5/20 0.39
HTR2A P28223 2/20 0.38
CHRM1 P11229 1/20 0.38
CDC7 O00311 1/20 0.38
SIGMAR1 Q99720 2/20 0.38
PIM1 P11309 2/20 0.37
PIM2 Q9P1W9 2/20 0.37

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
SCHEMBL9917453 0.90 HRH3 (0.47) CCR5HRH3ACHEHRH2HRH1
SCHEMBL9921295 0.90 HRH3 (0.47) CCR5HRH3ACHEHRH2HRH1
SCHEMBL13186708 0.89 HRH3 (0.47) HRH3ACHEMCHR1CHRM1SIGMAR1
SCHEMBL13186712 0.89 HRH3 (0.47) HRH3ACHEMCHR1CHRM1SIGMAR1
SCHEMBL9917526 0.88 SIGMAR1 (0.47) HRH3SIGMAR1
SCHEMBL9917527 0.88 SIGMAR1 (0.47) HRH3SIGMAR1
SCHEMBL9917528 0.88 SIGMAR1 (0.47) HRH3SIGMAR1
SCHEMBL16418023 0.87 HRH3 (0.45) CCR5HRH3
SCHEMBL13186715 0.86 CNR2 (0.38) HRH3ACHEHRH1MCHR1CHRM1
SCHEMBL9917508 0.85 LTA4H (0.49) CCR5HRH3ACHELTA4HCHRM1

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-8940730-B2 Methods and compositions of treating a Flaviviridae family viral infection THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2015-01-27 US disclosed
US-8940730-B2 Methods and compositions of treating a Flaviviridae family viral infection THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2015-01-27 US disclosed
US-20120148534-A1 METHODS AND COMPOSITIONS OF TREATING A FLAVIVIRIDAE FAMILY VIRAL INFECTION NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2012-06-14 US disclosed
US-20120148534-A1 METHODS AND COMPOSITIONS OF TREATING A FLAVIVIRIDAE FAMILY VIRAL INFECTION NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2012-06-14 US disclosed
WO-2010107742-A2 METHODS AND COMPOSITIONS OF TREATING A FLAVIVIRIDAE FAMILY VIRAL INFECTION THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2010-09-23 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-20120148534-A1 METHODS AND COMPOSITIONS OF TREATING A FLAVIVIRIDAE FAMILY VIRAL INFECTION EIF2AK2, NSUN3, NSUN2 CCR5 536/4885HRH3 4193/4885ACHE 3660/4885

“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.