SCHEMBL17474368

SCHEMBL17474368

Brc1ccc2c(c1)Sc1cc(Br)ccc1N2CCc1nnn[nH]1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.41
HTR2A P28223 1/20 0.41
HTR7 P34969 1/20 0.41
HTR6 P50406 1/20 0.41
KCNK2 O95069 1/20 0.37
SNCA P37840 1/20 0.32
PIM1 P11309 1/20 0.32
ALDH1A1 P00352 1/20 0.30
ALDH2 P05091 1/20 0.30
ALDH3A1 P30838 1/20 0.30
NOX1 Q9Y5S8 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
SCHEMBL17482019 0.93 DRD2 (0.39) DRD2HTR2AHTR7HTR6KCNK2
SCHEMBL17474399 0.82 KCNK2 (0.37) KCNK2PIM1ALDH1A1ALDH2ALDH3A1
SCHEMBL17474429 0.81 KDM1A (0.46) DRD2HTR2AHTR7HTR6PIM1
SCHEMBL17474401 0.80 KCNK2 (0.46) KCNK2ALDH1A1
SCHEMBL17482018 0.76 KCNK2 (0.33) KCNK2PIM1
SCHEMBL17482024 0.75 KCNK2 (0.42) KCNK2ALDH1A1
SCHEMBL17484599 0.74 KCNK2 (0.53) KCNK2ALDH1A1
SCHEMBL29947109 0.72 DRD2 (0.51) DRD2HTR2AHTR7HTR6PIM1
SCHEMBL17474430 0.71 PLK1 (0.34)
SCHEMBL12073897 0.70 DRD2 (0.53) DRD2HTR2AHTR7HTR6PIM1

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-9862684-B2 Modulation of K2P channels THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2018-01-09 US disclosed
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
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
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.