SCHEMBL23976381

SCHEMBL23976381

NC1CCOc2c(Br)cccc21

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 4/20 0.50
ADRA2B P18089 3/20 0.50
ADRA1A P35348 3/20 0.50
ADRA2C P18825 2/20 0.50
HTR2B P41595 5/20 0.42
HTR1A P08908 1/20 0.42
HTR7 P34969 1/20 0.42
TMEM97 Q5BJF2 1/20 0.42
SIGMAR1 Q99720 1/20 0.42
KDM1A O60341 1/20 0.38
HTR2C P28335 4/20 0.35
SLC6A2 P23975 2/20 0.34
HTR2A P28223 2/20 0.34
SLC6A4 P31645 2/20 0.34
SLC6A3 Q01959 1/20 0.34

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
SCHEMBL30601533 0.81 HTR2B (0.41) ADRA2AADRA2BADRA1AADRA2CHTR2B
SCHEMBL10010329 0.81 HTR2B (0.41) ADRA2AADRA2BADRA1AADRA2CHTR2B
SCHEMBL1708191 0.81 HTR2B (0.41) ADRA2AADRA2BADRA1AADRA2CHTR2B
Hydrochloric Acid SCHEMBL1708572 0.80 KDM1A (0.43) ADRA2AADRA2BADRA1AADRA2CHTR2B
SCHEMBL23976501 0.79 KDM1A (0.45) ADRA2AADRA2BADRA1AADRA2CKDM1A
SCHEMBL1265342 0.79 ADRA2A (0.50) ADRA2AADRA2BADRA1AHTR2BKDM1A
SCHEMBL1265344 0.79 ADRA2A (0.50) ADRA2AADRA2BADRA1AHTR2BKDM1A
SCHEMBL25166562 0.79 ADRA2A (0.50) ADRA2AADRA2BADRA1AADRA2CHTR2B
SCHEMBL14275635 0.79 ADRA2A (0.50) ADRA2AADRA2BADRA1AHTR2BKDM1A
SCHEMBL1266132 0.79 ADRA2A (0.50) ADRA2AADRA2BADRA1AHTR2BKDM1A

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-20240239752-A1 BICYCLIC HETEROAROMATIC INHIBITORS OF KLK5 WILMINGTON TRUST, NATIONAL ASSOCIATION 2024-07-18 US disclosed
US-20240239752-A1 BICYCLIC HETEROAROMATIC INHIBITORS OF KLK5 WILMINGTON TRUST, NATIONAL ASSOCIATION 2024-07-18 US disclosed
US-20240239752-A1 BICYCLIC HETEROAROMATIC INHIBITORS OF KLK5 WILMINGTON TRUST, NATIONAL ASSOCIATION 2024-07-18 US disclosed
CN-117120419-A KLK5 bicyclic heteroaromatic inhibitors 拜奥克里斯特制药公司 2023-11-24 CN disclosed
WO-2021217508-A1 COMPOUNDS AND COMPOSITIONS FOR INHIBITING THE ACTIVITY OF HIF2α AND THEIR METHODS OF USE NOVARTIS AG (CH) 2021-11-04 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-20240239752-A1 BICYCLIC HETEROAROMATIC INHIBITORS OF KLK5 KLK5, KLK1, KLKB1 ADRA2A 4013/4885ADRA2B 3716/4885ADRA1A 3776/4885

“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.