SCHEMBL13654432

SCHEMBL13654432

CCC1c2c(c3cc(Cl)ccc3n2-c2ccc(F)cc2)CCN1C

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 9/20 0.43
▸ HTR5A P47898 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ MAPT P10636 1/20 0.40

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
SCHEMBL13665490 0.93 KDM4E (0.42) KCNH2HTR5AKDM4EALDH1A1LMNA
SCHEMBL13665759 0.90 KDM4E (0.39) KCNH2HTR5AKDM4EALDH1A1LMNA
SCHEMBL13665487 0.88 KDM4E (0.39) KCNH2KDM4EALDH1A1LMNAGAA
SCHEMBL13665775 0.88 HTR6 (0.42) KDM4EALDH1A1LMNAMAPT
SCHEMBL13665753 0.87 SLC6A4 (0.40) HTR5AKDM4EALDH1A1LMNAGAA
SCHEMBL13665767 0.87 MAPT (0.40) KCNH2KDM4EALDH1A1LMNAGAA
SCHEMBL13665755 0.85 USP14 (0.43) KCNH2KDM4EALDH1A1LMNAGAA
SCHEMBL13666164 0.85 KCNH2 (0.41) KCNH2HTR5AKDM4EALDH1A1LMNA
SCHEMBL13665495 0.85 NR1I2 (0.36) KCNH2HTR5AKDM4EALDH1A1LMNA
SCHEMBL13654621 0.83 HTR6 (0.47) KCNH2HTR5AKDM4EALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8338447-B2 Pyrido[3,4-B]indoles and methods of use MEDIVATION TECHNOLOGIES, INC. (US) 2012-12-25 — — US disclosed
US-20090270412-A1 PYRIDO[3,4-B]INDOLES AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. 2009-10-29 — — US disclosed
WO-2009120717-A2 PYRIDO [3, 4-B] INDOLES AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. (US) 2009-10-01 — — WO 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-20090270412-A1 PYRIDO[3,4-B]INDOLES AND METHODS OF USE HTR3B, HTR4, HTR2C KCNH2 1610/4885HTR5A 6/4885KDM4E 1637/4885

“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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