SCHEMBL30288236

SCHEMBL30288236

c1ccc(-c2cccc(NCC3CC3)c2)cc1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.46
MAOA P21397 1/20 0.46
CRHR1 P34998 1/20 0.46
MGLL Q99685 2/20 0.44
CARM1 Q86X55 1/20 0.44
PRMT6 Q96LA8 1/20 0.44
TRIM58 Q8NG06 2/20 0.44
VCP P55072 2/20 0.43
FAAH O00519 1/20 0.42
MAPK14 Q16539 1/20 0.41
POLB P06746 1/20 0.41
PTPN1 P18031 1/20 0.41
MAPK1 P28482 1/20 0.40
SIGMAR1 Q99720 1/20 0.40
ACHE P22303 1/20 0.40
BACE1 P56817 1/20 0.40
KCNH3 Q9ULD8 1/20 0.40

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
SCHEMBL1722281 0.82 CARM1 (0.57) CRHR1CARM1PRMT6VCPSIGMAR1
SCHEMBL18434523 0.82 CARM1 (0.57) CRHR1CARM1PRMT6VCPSIGMAR1
SCHEMBL10055063 0.82 CARM1 (0.57) CRHR1CARM1PRMT6VCPSIGMAR1
SCHEMBL10055002 0.82 CARM1 (0.57) CRHR1CARM1PRMT6VCPSIGMAR1
SCHEMBL4369018 0.76 CRHR1 (0.52) CRHR1VCP
SCHEMBL632625 0.76 POLB (0.60) CRHR1VCPPOLB
SCHEMBL25547612 0.76 CRHR1 (0.41) CRHR1CARM1PRMT6POLBSIGMAR1
SCHEMBL1419784 0.76 PRKCQ (0.48) CRHR1CARM1PRMT6POLB
SCHEMBL7740379 0.76 CRHR1 (0.41) CRHR1CARM1PRMT6POLBACHE
SCHEMBL13438985 0.76 SMYD3 (0.44) KDM1ACRHR1CARM1PRMT6TRIM58

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230055237-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OF CYSTIC FIBROSIS FLATLEY DISCOVERY LAB, LLC 2023-02-23 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-20230055237-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OF CYSTIC FIBROSIS CFTR, MPST, CRAT KDM1A 3310/4885MAOA 1187/4885CRHR1 4608/4885

“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.