SCHEMBL19008979

SCHEMBL19008979

CC(C)c1ccn(CCCN2CCOCC2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
KMT2A Q03164 1/20 0.46
ALDH1A1 P00352 3/20 0.44
SIGMAR1 Q99720 3/20 0.43
KDM1A O60341 2/20 0.43
MAPK1 P28482 2/20 0.42
HRH3 Q9Y5N1 2/20 0.42
CYP1A2 P05177 1/20 0.42
CHRM2 P08172 1/20 0.42
CHRM1 P11229 1/20 0.42
HTR2A P28223 1/20 0.42
SCN1A P35498 1/20 0.42
HTR2B P41595 1/20 0.42
KCNH2 Q12809 1/20 0.42
SCN2A Q99250 1/20 0.42
SCN3A Q9NY46 1/20 0.42
POLB P06746 1/20 0.42
ACHE P22303 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
SCHEMBL13428655 0.92 ACHE (0.44) MEN1NPC1RAB9AKMT2AALDH1A1
SCHEMBL19335631 0.80 POLB (0.48) ALDH1A1SIGMAR1KDM1AMAPK1HRH3
SCHEMBL7772370 0.73 KDM1A (0.48) ALDH1A1SIGMAR1KDM1AMAPK1HRH3
SCHEMBL21479290 0.73 SIGMAR1 (0.64) MEN1NPC1RAB9AKMT2AALDH1A1
SCHEMBL23468026 0.72 ALDH1A1 (0.47) MEN1NPC1RAB9AKMT2AALDH1A1
SCHEMBL21663768 0.72 SIGMAR1 (0.58) MEN1NPC1RAB9AKMT2AALDH1A1
SCHEMBL13456606 0.71 POLB (0.44) ALDH1A1SIGMAR1KDM1AMAPK1HRH3
SCHEMBL10223326 0.71 MEN1 (0.77) MEN1NPC1RAB9AKMT2AALDH1A1
SCHEMBL15701666 0.70 HTR7 (0.51) MEN1NPC1RAB9AKMT2A
SCHEMBL3065336 0.70 KEAP1 (0.52) ALDH1A1SIGMAR1KDM1AMAPK1HRH3

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-9758509-B2 Substituted 3-(5-membered unsaturated heterocyclyl-1, 3-dihydro-indol-2-one's and derivatives thereof as kinase inhibitors ALLERGAN, INC. (US) 2017-09-12 US disclosed
US-20170174664-A1 SUBSTITUTED 3-(5-MEMBERED UNSATURATED HETEROCYCLYL-1, 3-DIHYDRO-INDOL-2-ONE'S AND DERIVATIVES THEREOF AS KINASE INHIBITORS ALLERGAN, INC. 2017-06-22 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-20170174664-A1 SUBSTITUTED 3-(5-MEMBERED UNSATURATED HETEROCYCLYL-1, 3-DIHYDRO-INDOL-2-ONE'S AND DERIVATIVES THEREOF AS KINASE INHIBITORS DSTYK, CDK2, ERBB2 MEN1 3146/4885NPC1 3867/4885RAB9A 2888/4885

“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.