SCHEMBL18485512

SCHEMBL18485512

CCC(C(=O)Nc1c(C)cccc1C)N1CCCC1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ATM Q13315 3/20 0.68
▸ POLB P06746 1/20 0.52
▸ CYP3A4 P08684 4/20 0.52
▸ CYP2D6 P10635 2/20 0.52
▸ CYP2C19 P33261 2/20 0.52
▸ MEN1 O00255 2/20 0.52
▸ CYP2C9 P11712 2/20 0.52
▸ KMT2A Q03164 2/20 0.52
▸ NPSR1 Q6W5P4 1/20 0.52
▸ SLC6A3 Q01959 5/20 0.49
▸ SLC6A2 P23975 4/20 0.49
▸ SLC6A4 P31645 3/20 0.49
▸ LMNA P02545 2/20 0.48
▸ KCNK3 O14649 1/20 0.48
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ KCNH2 Q12809 2/20 0.45
▸ ALDH1A1 P00352 2/20 0.43
▸ HSP90AA1 P07900 1/20 0.43
▸ MAPT P10636 2/20 0.42
▸ SCN3A Q9NY46 2/20 0.42

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
SCHEMBL18485516 0.99 ATM (0.66) ATMPOLBCYP3A4CYP2D6CYP2C19
SCHEMBL22407724 0.99 ATM (0.66) ATMPOLBCYP3A4CYP2D6CYP2C19
SCHEMBL22203980 0.88 ATM (0.63) ATMPOLBCYP3A4CYP2D6CYP2C19
SCHEMBL22405856 0.87 ATM (0.52) ATMPOLBCYP3A4CYP2D6CYP2C19
SCHEMBL31678662 0.87 ATM (0.52) ATMPOLBCYP3A4CYP2D6CYP2C19
SCHEMBL22407702 0.84 POLB (0.55) ATMPOLBCYP3A4CYP2D6CYP2C19
SCHEMBL22407648 0.82 ATM (0.46) ATMPOLBCYP3A4CYP2D6CYP2C19
Bromide SCHEMBL22412696 0.82 ATM (0.59) ATMPOLBCYP3A4CYP2D6CYP2C19
SCHEMBL22435855 0.81 ATM (0.49) ATMCYP3A4CYP2D6CYP2C19MEN1
SCHEMBL18485508 0.81 ATM (1.00) ATMPOLBCYP3A4CYP2D6CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11021443-B2 Charged ion channel blockers and methods for use PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2021-06-01 — — US disclosed
US-20200377459-A1 CHARGED ION CHANNEL BLOCKERS AND METHODS FOR USE PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2020-12-03 — — US disclosed
WO-2017024037-A1 CHARGED ION CHANNEL BLOCKERS AND METHODS FOR USE PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2017-02-09 — — 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 (2 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-20200377459-A1 CHARGED ION CHANNEL BLOCKERS AND METHODS FOR USE TRPV1, TRPV2, TRPA1 ATM 4664/4885POLB 1938/4885CYP3A4 4406/4885
US-11021443-B2 Charged ion channel blockers and methods for use TRPV1, TRPV2, TRPA1 ATM 4664/4885POLB 1938/4885CYP3A4 4406/4885

“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.

Send feedback