SCHEMBL21201896

SCHEMBL21201896

CC(C)(C)c1cc(Cl)cc(COCCN2CCOCC2)n1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 5/20 0.48
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
TSHR P16473 2/20 0.41
TACR1 P25103 1/20 0.40
SLC6A4 P31645 1/20 0.40
KCNH2 Q12809 1/20 0.40
NPC1 O15118 1/20 0.39
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 1/20 0.39

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
SCHEMBL19022335 0.68 SIGMAR1 (0.47) SIGMAR1CYP3A4CYP2D6TSHRTACR1
SCHEMBL23394854 0.67 TACR1 (0.33) TACR1SLC6A4KCNH2
Hydrochloric Acid SCHEMBL8577221 0.66 RAB9A (0.50) SIGMAR1TSHRNPC1
SCHEMBL13783262 0.66 POLB (0.54) SIGMAR1TSHRKCNH2ALDH1A1
SCHEMBL20328750 0.65 TSHR (0.50) SIGMAR1CYP3A4CYP2D6TSHRKCNH2
SCHEMBL25263718 0.65 SIGMAR1 (0.48) SIGMAR1TSHRKCNH2ALDH1A1KDM4E
SCHEMBL20579315 0.65 TACR1 (0.32) TACR1SLC6A4KCNH2
SCHEMBL20579245 0.65 GRN (0.35) CYP3A4TACR1SLC6A4KCNH2NPC1
SCHEMBL20249190 0.64 CA12 (0.58) SIGMAR1CYP3A4CYP2D6KCNH2NPC1
SCHEMBL21348742 0.64 SIGMAR1 (0.45) SIGMAR1TSHRNPC1ALDH1A1KDM4E

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
EP-3634961-B1 (4-(([1,2,4]TRIAZOLO[4,3-A]PYRIDINE-6-YL)OXY)-1,2,3,4-TETRAHYDRONAPHTHALEN-1-YL)UREIDO DERIVATIVES AS ANTI-INFLAMMATORY P38 MAPK INHIBITORS FOR TREATING DISEASES OF THE RESPIRATORY TRACT CHIESI FARM SPA (IT) 2021-05-26 EP disclosed
US-10364245-B2 Kinase inhibitors CHIESI FARMACEUTICI S.P.A. (IT) 2019-07-30 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-10364245-B2 Kinase inhibitors MAPK1, MAP3K1, MAP3K6 SIGMAR1 3052/4885CYP3A4 1986/4885CYP2D6 1640/4885

“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.