SCHEMBL13654587

SCHEMBL13654587

CCC1c2c(c3cc(Cl)ccc3n2-c2cccnc2)CCN1C

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CYP11B2 P19099 5/20 0.44
▸ CYP11B1 P15538 4/20 0.44
▸ MAT2A P31153 10/20 0.41
▸ PRMT5 O14744 2/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ CYP1A2 P05177 1/20 0.39
▸ METAP2 P50579 1/20 0.39
▸ ALDH1A1 P00352 2/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ MAPT P10636 1/20 0.37

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
SCHEMBL13665487 0.88 KDM4E (0.39) MAT2AALDH1A1KDM4ELMNAGAA
SCHEMBL13654457 0.87 MAT2A (0.43) CYP11B2CYP11B1MAT2APRMT5CYP3A4
SCHEMBL13665490 0.86 KDM4E (0.42) ALDH1A1KDM4ELMNAGAAMAPT
SCHEMBL13654432 0.82 KCNH2 (0.43) ALDH1A1KDM4ELMNAGAAMAPT
SCHEMBL13665767 0.82 MAPT (0.40) ALDH1A1KDM4ELMNAGAAMAPT
SCHEMBL13663439 0.82 CYP11B1 (0.36) CYP11B2CYP11B1ALDH1A1KDM4ELMNA
SCHEMBL13665759 0.81 KDM4E (0.39) ALDH1A1KDM4ELMNAGAAMAPT
SCHEMBL13665753 0.81 SLC6A4 (0.40) ALDH1A1KDM4ELMNAGAAMAPT
SCHEMBL13665755 0.79 USP14 (0.43) CYP3A4CYP1A2ALDH1A1KDM4ELMNA
SCHEMBL13654582 0.79 CYP11B1 (0.34) CYP11B2CYP11B1ALDH1A1KDM4ELMNA

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 CYP11B2 2181/4885CYP11B1 2308/4885MAT2A 569/4885

“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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