SCHEMBL25634643

SCHEMBL25634643

CC(C)Cc1ccc[n+](C(C)C)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 5/20 0.33
SLC6A2 P23975 2/20 0.33
SIGMAR1 Q99720 2/20 0.33
MAOA P21397 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33
CYP2A6 P11509 1/20 0.33
ADORA2A P29274 1/20 0.33
ADORA1 P30542 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GABRA1 P14867 2/20 0.32
GABRB2 P47870 2/20 0.32
PTGS1 P23219 3/20 0.32
PTGS2 P35354 3/20 0.32
LMNA P02545 2/20 0.32
CYP2C9 P11712 2/20 0.32
AKR1C3 P42330 2/20 0.32
CXCR1 P25024 2/20 0.32
CXCR2 P25025 2/20 0.32
ALB P02768 1/20 0.32

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
SCHEMBL5300656 0.82 TP53 (0.46) TAAR1SLC6A2SIGMAR1MAOASLC6A4
SCHEMBL5285062 0.78 SIGMAR1 (0.35) SIGMAR1
SCHEMBL13741192 0.76 GPR84 (0.46)
SCHEMBL5291000 0.76 GGPS1 (0.40) SIGMAR1ALDH1A1
SCHEMBL17301112 0.76 FAAH (0.35) ALDH1A1PTGS1PTGS2LMNACYP2C9
SCHEMBL5811446 0.74 GGPS1 (0.45) SLC6A2SLC6A4SLC6A3ADORA2AALDH1A1
SCHEMBL17737228 0.74 PTGS1 (0.39) ALDH1A1GABRA1GABRB2PTGS1PTGS2
SCHEMBL17301111 0.73 FAAH (0.33) ALDH1A1PTGS1PTGS2LMNACYP2C9
SCHEMBL5287386 0.73 GGPS1 (0.47) SLC6A2SLC6A4SLC6A3ADORA2AALDH1A1
SCHEMBL5304932 0.73 GGPS1 (0.47) SLC6A2SLC6A4SLC6A3ADORA2AALDH1A1

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-11696912-B2 Charged ion channel blockers and methods for use Nocion Therapeutics, Inc. (US) 2023-07-11 US disclosed
US-20230173093-A1 CHARGE VARIANT LINKERS SEAGEN INC (US) 2023-06-08 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-11696912-B2 Charged ion channel blockers and methods for use TRPV1, ASIC1, TRPA1 TAAR1 789/4885SLC6A2 541/4885SIGMAR1 726/4885
US-20230173093-A1 CHARGE VARIANT LINKERS SSB, UACA, CDA TAAR1 3918/4885SLC6A2 1885/4885SIGMAR1 4535/4885

“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.