SCHEMBL22435855

SCHEMBL22435855

CCC(C(=O)Nc1c(C)cccc1C)N1CCCC(c2ccccc2)C1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ATM Q13315 1/20 0.49
▸ DRD2 P14416 2/20 0.43
▸ DRD3 P35462 2/20 0.43
▸ DRD1 P21728 1/20 0.43
▸ DRD4 P21917 1/20 0.43
▸ DRD5 P21918 1/20 0.43
▸ NPC1 O15118 3/20 0.42
▸ RAB9A P51151 3/20 0.42
▸ SMN1; SMN2 Q16637 3/20 0.42
▸ SCN4A P35499 2/20 0.42
▸ MAPT P10636 2/20 0.42
▸ TP53 P04637 2/20 0.42
▸ NFKB1 P19838 1/20 0.42
▸ HTT P42858 1/20 0.42
▸ NFKB2 Q00653 1/20 0.42
▸ RELA Q04206 1/20 0.42
▸ STAT1 P42224 1/20 0.42
▸ CYP3A4 P08684 2/20 0.41
▸ CYP2C19 P33261 2/20 0.41
▸ KCNK3 O14649 1/20 0.41

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
SCHEMBL18485512 0.81 ATM (0.68) ATMSCN4AMAPTCYP3A4CYP2C19
SCHEMBL22407724 0.80 ATM (0.66) ATMCYP3A4CYP2C19KCNK3LMNA
SCHEMBL18485516 0.80 ATM (0.66) ATMCYP3A4CYP2C19KCNK3LMNA
SCHEMBL22409694 0.77 ALDH1A1 (0.55) DRD2DRD3DRD1DRD4DRD5
SCHEMBL28714355 0.74 SLC18A3 (0.49) DRD2DRD3DRD1DRD4DRD5
Bromide SCHEMBL22412426 0.73 HTT (0.50) ATMNPC1RAB9ASMN1; SMN2MAPT
SCHEMBL22203980 0.73 ATM (0.63) ATMCYP3A4CYP2C19KCNK3LMNA
SCHEMBL22430835 0.72 DRD3 (0.42) DRD2DRD3DRD1DRD4DRD5
SCHEMBL12946002 0.71 DRD2 (0.67) DRD2DRD3DRD1DRD4DRD5
Bromide SCHEMBL22412696 0.71 ATM (0.59) ATMRAB9ASCN4AMAPTTP53

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-11377422-B2 Charged ion channel blockers and methods for use Nocion Therapeutics, Inc. (US) 2022-07-05 — — US disclosed
US-20200290965-A1 CHARGED ION CHANNEL BLOCKERS AND METHODS FOR USE Nocion Therapeutics, Inc. 2020-09-17 — — 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 (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-11377422-B2 Charged ion channel blockers and methods for use TRPV1, TRPV2, TRPV5 ATM 4775/4885DRD2 2772/4885DRD3 2699/4885
US-20200290965-A1 CHARGED ION CHANNEL BLOCKERS AND METHODS FOR USE TRPV1, TRPV2, TRPV5 ATM 4775/4885DRD2 2772/4885DRD3 2699/4885

“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