SCHEMBL17792374

SCHEMBL17792374

c1ccc2c3c([nH]c2c1)CN(CN1CCNCC1)CC3

nearest known ligand 0.65

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 1/20 0.60
▸ HTR1A P08908 1/20 0.58
▸ KDM4E B2RXH2 1/20 0.56
▸ MEN1 O00255 4/20 0.55
▸ KMT2A Q03164 4/20 0.55
▸ ATM Q13315 2/20 0.55
▸ GAA P10253 1/20 0.55
▸ GRIN2B Q13224 1/20 0.55
▸ RCE1 Q9Y256 1/20 0.55
▸ HTR2A P28223 1/20 0.54
▸ HTR2C P28335 1/20 0.54

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
SCHEMBL17517486 0.92 SIGMAR1 (0.68) SIGMAR1HTR1AKDM4EMEN1KMT2A
SCHEMBL17792376 0.89 ACHE (0.64) SIGMAR1KDM4EHTR2AHTR2C
SCHEMBL10397222 0.88 SIGMAR1 (0.61) SIGMAR1HTR1AKDM4EMEN1KMT2A
SCHEMBL29411058 0.87 SIGMAR1 (0.75) SIGMAR1HTR1AGRIN2B
Hydrochloric Acid SCHEMBL16335548 0.86 SIGMAR1 (0.73) SIGMAR1HTR1AGRIN2B
Hydrochloric Acid SCHEMBL16335321 0.86 SIGMAR1 (0.73) SIGMAR1HTR1AGRIN2B
SCHEMBL7783645 0.81 DRD1 (0.62) SIGMAR1HTR1AKDM4EMEN1KMT2A
SCHEMBL6369610 0.80 HTR1A (0.71) SIGMAR1HTR1AKDM4EMEN1KMT2A
Hydrochloric Acid SCHEMBL10396301 0.80 DRD1 (0.61) SIGMAR1HTR1AKDM4EMEN1KMT2A
SCHEMBL1415530 0.78 HTR1A (0.81) SIGMAR1HTR1AKDM4EMEN1KMT2A

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-9714245-B2 Carboline compounds usable in the treatment of neurodegenerative diseases ALZPROTECT (FR) 2017-07-25 — — US disclosed
US-20160152610-A1 Carboline Compounds Usable in The Treatment of Neurodegenerative Diseases INSERM (INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE) (FR) 2016-06-02 — — 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-20160152610-A1 Carboline Compounds Usable in The Treatment of Neurodegenerative Diseases SNCA, PARK7, HTT SIGMAR1 923/4885HTR1A 161/4885KDM4E 3541/4885

“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.

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