SCHEMBL4895058

SCHEMBL4895058

COc1c(C)cccc1CN

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN4A P35499 9/20 0.43
TAAR1 Q96RJ0 2/20 0.42
TSHR P16473 3/20 0.41
LMNA P02545 2/20 0.41
SCN1A P35498 2/20 0.41
SCN5A Q14524 2/20 0.41
SCN9A Q15858 2/20 0.41
SCN8A Q9UQD0 2/20 0.41
CYP1A2 P05177 2/20 0.41
CYP3A4 P08684 2/20 0.41
CYP2D6 P10635 2/20 0.41
NFKB1 P19838 2/20 0.41
CYP2C9 P11712 1/20 0.41
KCNK3 O14649 1/20 0.41
CACNA1F O60840 1/20 0.41
KCNK2 O95069 1/20 0.41
GBA1 P04062 1/20 0.41
MAOA P21397 1/20 0.41
HTR2A P28223 1/20 0.41
SLC6A4 P31645 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
SCHEMBL13570163 0.84 TAAR1 (0.59) SCN4ATAAR1CYP1A2HTR2AHTR2B
SCHEMBL13344106 0.81 GABRA1 (0.43) SCN4ATSHRLMNASCN1ASCN5A
SCHEMBL4513903 0.79 SCN4A (0.41) SCN4ATSHRLMNASCN1ASCN5A
SCHEMBL4897798 0.79 PDCD1 (0.41) SCN4ATSHRLMNASCN1ASCN5A
SCHEMBL11088431 0.79 SCN8A (0.40) SCN4ATSHRLMNASCN1ASCN5A
SCHEMBL24378512 0.79 SCN8A (0.40) SCN4ATSHRLMNASCN1ASCN5A
SCHEMBL622628 0.79 CA12 (0.53) TAAR1TSHRLMNACYP1A2CYP3A4
SCHEMBL11123175 0.79 SCN8A (0.40) SCN4ATAAR1TSHRLMNASCN1A
SCHEMBL9112957 0.79 SCN8A (0.40) SCN4ATSHRLMNASCN1ASCN5A
SCHEMBL11436863 0.79 ALDH1A1 (0.40) TAAR1TSHRLMNACYP3A4HTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12606520-B2 Calpain-2 inhibitor compounds and methods of treatment WESTERN UNIVERSITY OF HEALTH SCIENCES (US) 2026-04-21 US disclosed
US-20230091121-A1 CALPAIN-2 INHIBITOR COMPOUNDS AND METHODS OF TREATMENT UNITED STATES GOVERNMENT 2023-03-23 US disclosed
WO-2021163631-A1 CALPAIN-2 INHIBITOR COMPOUNDS AND METHODS OF TREATMENT WESTERN UNIVERSITY OF HEALTH SCIENCES (US) 2021-08-19 WO disclosed
US-8557853-B2 Aryl fluoroethyl ureas acting as alpha 2 adrenergic agents ALLERGAN, INC. (US) 2013-10-15 US disclosed
US-20080194650-A1 ARYL FLUOROETHYL UREAS ACTING AS ALPHA 2 ADRENERGIC AGENTS ALLERGHAN, INC. 2008-08-14 US disclosed
US-20040063643-A1 Bombesin antagonists PFIZER INC. 2004-04-01 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 (4 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-20230091121-A1 CALPAIN-2 INHIBITOR COMPOUNDS AND METHODS OF TREATMENT CAPN2, CAPNS1, CAPN1 SCN4A 1780/4885TAAR1 4408/4885TSHR 4808/4885
US-12606520-B2 Calpain-2 inhibitor compounds and methods of treatment CAPN2, CAPN1, CAPNS1 SCN4A 1160/4885TAAR1 4430/4885TSHR 4532/4885
US-20040063643-A1 Bombesin antagonists BRS3, NPSR1, GNRHR SCN4A 2154/4885TAAR1 131/4885TSHR 1578/4885
US-20080194650-A1 ARYL FLUOROETHYL UREAS ACTING AS ALPHA 2 ADRENERGIC AGENTS ADRB2, ADRA2C, ADRA2A SCN4A 701/4885TAAR1 27/4885TSHR 233/4885

“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.