SCHEMBL12197909

SCHEMBL12197909

CC(C)CCC(=O)N1CCCC[C@H]1C

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 2/20 0.48
▸ SMN1; SMN2 Q16637 2/20 0.48
▸ GAA P10253 3/20 0.46
▸ CHRM2 P08172 1/20 0.46
▸ CHRM4 P08173 1/20 0.46
▸ CHRM1 P11229 1/20 0.46
▸ CHRM3 P20309 1/20 0.46
▸ KMT2A Q03164 1/20 0.45
▸ ALDH1A1 P00352 3/20 0.43
▸ LMNA P02545 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ LIPE Q05469 1/20 0.42
▸ MAPK1 P28482 1/20 0.40
▸ RECQL P46063 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
SCHEMBL12457127 1.00 HPGD (0.48) HPGDSMN1; SMN2GAACHRM2CHRM4
SCHEMBL12456746 0.83 SMN1; SMN2 (0.59) HPGDSMN1; SMN2GAACHRM2CHRM4
SCHEMBL12197948 0.83 SMN1; SMN2 (0.59) HPGDSMN1; SMN2GAACHRM2CHRM4
SCHEMBL15119315 0.83 SMN1; SMN2 (0.59) HPGDSMN1; SMN2GAACHRM2CHRM4
SCHEMBL11892712 0.81 HPGD (0.51) HPGDSMN1; SMN2GAACHRM2CHRM4
SCHEMBL13412867 0.81 HPGD (0.51) HPGDSMN1; SMN2GAACHRM2CHRM4
SCHEMBL29191664 0.78 KMT2A (0.51) HPGDSMN1; SMN2GAACHRM2CHRM4
SCHEMBL15490028 0.77 SMN1; SMN2 (0.61) HPGDSMN1; SMN2GAAKMT2ANPSR1
SCHEMBL15854293 0.77 SMN1; SMN2 (0.61) HPGDSMN1; SMN2GAAKMT2ANPSR1
SCHEMBL15490023 0.77 SMN1; SMN2 (0.61) HPGDSMN1; SMN2GAAKMT2ANPSR1

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 41 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9580425-B2 Pyrido[3,4-b] indoles and methods of use MEDIVATION TECHNOLOGIES, INC. (US) 2017-02-28 — — US disclosed
US-9469641-B2 Pyrido[3,4-B]indoles and methods of use MEDIVATION TECHNOLOGIES, INC. (US) 2016-10-18 — — US disclosed
US-9271971-B2 Pyrido[3,4-B]indoles and methods of use MEDIVATION TECHNOLOGIES, INC. (US) 2016-03-01 — — US disclosed
US-9260429-B2 Pyrido[3,4-B]indoles and methods of use MEDIVATION TECHNOLOGIES, INC. (US) 2016-02-16 — — US disclosed
US-20150352087-A1 PYRIDO[3,4-B]INDOLES AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. 2015-12-10 — — US disclosed
US-9199996-B2 Pyrido[4,3-B]indoles and methods of use MEDIVATION TECHNOLOGIES, INC. (US) 2015-12-01 — — US disclosed
US-9193728-B2 Fused tetracyclic pyrido [4,3-B] indole and pyrido [3,4-B] indole derivatives and methods of use MEDIVATION TECHNOLOGIES, INC. (US) 2015-11-24 — — US disclosed
US-9085580-B2 Pyrido[3,4-B]indoles and methods of use MEDIVATION TECHNOLOGIES, INC. (US) 2015-07-21 — — US disclosed
US-9079904-B2 Pyrido[3,4-B]indoles and methods of use MEDIVATION TECHNOLOGIES, INC. (US) 2015-07-14 — — US disclosed
US-9051314-B2 Bridged heterocyclic compounds and methods of use MEDIVATION TECHNOLOGIES, INC. (US) 2015-06-09 — — US disclosed
US-20130131077-A1 PYRIDO[3,4-B]INDOLES AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. (US) 2013-05-23 — — US disclosed
US-20130123277-A1 PYRIDO[3,4-B]INDOLES AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. (US) 2013-05-16 — — US disclosed
US-20130079352-A1 PYRIDO[3,4-B]INDOLES AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. (US) 2013-03-28 — — US disclosed
US-8338447-B2 Pyrido[3,4-B]indoles and methods of use MEDIVATION TECHNOLOGIES, INC. (US) 2012-12-25 — — US disclosed
US-20110245272-A1 PYRIDO[4,3-B]INDOLES AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. 2011-10-06 — — US disclosed
US-20110237582-A1 PYRIDO[3,4-B]INDOLES AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. 2011-09-29 — — US disclosed
WO-2011103460-A1 FUSED TETRACYCLIC PYRIDO[4,3-B]INDOLE AND PYRIDO[3,4-B]ONDOLE DERIVATIVES AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. (US) 2011-08-25 — — WO disclosed
WO-2011038162-A1 PYRIDO(3,4-B)INDOLES AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. (US) 2011-03-31 — — WO disclosed
US-20100099667-A1 BRIDGED HETEROCYCLIC COMPOUNDS AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. 2010-04-22 — — US disclosed
US-20090270412-A1 PYRIDO[3,4-B]INDOLES AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. 2009-10-29 — — 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 (8 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-20110245272-A1 PYRIDO[4,3-B]INDOLES AND METHODS OF USE HTR3B, HTR4, HTR2C HPGD 319/4885SMN1; SMN2 2610/4885GAA 3525/4885
US-20130079352-A1 PYRIDO[3,4-B]INDOLES AND METHODS OF USE HTR3B, HTR4, HTR2C HPGD 325/4885SMN1; SMN2 2604/4885GAA 3526/4885
US-20130123277-A1 PYRIDO[3,4-B]INDOLES AND METHODS OF USE HTR3B, HTR2C, HTR4 HPGD 319/4885SMN1; SMN2 2648/4885GAA 3481/4885
US-20090270412-A1 PYRIDO[3,4-B]INDOLES AND METHODS OF USE HTR3B, HTR4, HTR2C HPGD 325/4885SMN1; SMN2 2604/4885GAA 3526/4885
US-20130131077-A1 PYRIDO[3,4-B]INDOLES AND METHODS OF USE HTR3B, HTR2C, HTR4 HPGD 290/4885SMN1; SMN2 2767/4885GAA 3484/4885
US-20100099667-A1 BRIDGED HETEROCYCLIC COMPOUNDS AND METHODS OF USE HRH4, HNMT, HTR2C HPGD 146/4885SMN1; SMN2 3057/4885GAA 3150/4885
US-20150352087-A1 PYRIDO[3,4-B]INDOLES AND METHODS OF USE HTR3B, HTR4, HTR2C HPGD 325/4885SMN1; SMN2 2604/4885GAA 3526/4885
US-20110237582-A1 PYRIDO[3,4-B]INDOLES AND METHODS OF USE HTR3B, HTR4, HTR2C HPGD 325/4885SMN1; SMN2 2604/4885GAA 3526/4885

“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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