SCHEMBL17482019

SCHEMBL17482019

Cc1ccc2c(c1)Sc1cc(Br)ccc1N2CCc1nnn[nH]1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.39
HTR2A P28223 1/20 0.39
HTR7 P34969 1/20 0.39
HTR6 P50406 1/20 0.39
DRD3 P35462 1/20 0.33
KCNK2 O95069 1/20 0.33
PIM1 P11309 1/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
POLB P06746 1/20 0.30
MAPT P10636 1/20 0.30

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
SCHEMBL17474368 0.93 DRD2 (0.41) DRD2HTR2AHTR7HTR6KCNK2
SCHEMBL17482018 0.82 KCNK2 (0.33) KCNK2PIM1
SCHEMBL17482024 0.81 KCNK2 (0.42) KCNK2MEN1KMT2AMAPT
SCHEMBL17474401 0.76 KCNK2 (0.46) KCNK2MEN1KMT2AMAPT
SCHEMBL8739572 0.76 DRD2 (0.48) DRD2HTR2AHTR7HTR6DRD3
SCHEMBL17482052 0.76 KCNK2 (0.48) KCNK2MAPT
SCHEMBL17474429 0.75 KDM1A (0.46) DRD2HTR2AHTR7HTR6DRD3
SCHEMBL17482017 0.73 PLK1 (0.31)
SCHEMBL17482021 0.72 KCNK2 (0.44) KCNK2MEN1KMT2AMAPT
SCHEMBL17484599 0.71 KCNK2 (0.53) KCNK2

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-9862684-B2 Modulation of K2P channels THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2018-01-09 US disclosed
US-20160031814-A1 MODULATION OF K2P CHANNELS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2016-02-04 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-20160031814-A1 MODULATION OF K2P CHANNELS KCNJ2, KCNK2, KCNN3 DRD2 879/4885HTR2A 156/4885HTR7 397/4885

“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.