SCHEMBL12456746

SCHEMBL12456746

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

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.59
▸ HPGD P15428 2/20 0.50
▸ GAA P10253 2/20 0.49
▸ KMT2A Q03164 1/20 0.47
▸ LIPE Q05469 1/20 0.43
▸ RAB9A P51151 2/20 0.42
▸ CHRM2 P08172 1/20 0.42
▸ CHRM4 P08173 1/20 0.42
▸ CHRM1 P11229 1/20 0.42
▸ CHRM3 P20309 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ ALDH1A1 P00352 3/20 0.42
▸ HSD17B10 Q99714 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
SCHEMBL12197948 1.00 SMN1; SMN2 (0.59) SMN1; SMN2HPGDGAAKMT2ALIPE
SCHEMBL15119315 1.00 SMN1; SMN2 (0.59) SMN1; SMN2HPGDGAAKMT2ALIPE
SCHEMBL15490023 0.95 SMN1; SMN2 (0.61) SMN1; SMN2HPGDGAAKMT2ALIPE
SCHEMBL15490028 0.95 SMN1; SMN2 (0.61) SMN1; SMN2HPGDGAAKMT2ALIPE
SCHEMBL15854293 0.95 SMN1; SMN2 (0.61) SMN1; SMN2HPGDGAAKMT2ALIPE
SCHEMBL11834455 0.86 HPGD (0.51) SMN1; SMN2HPGDGAAKMT2ALIPE
SCHEMBL12457127 0.83 HPGD (0.48) SMN1; SMN2HPGDGAAKMT2ALIPE
SCHEMBL12197909 0.83 HPGD (0.48) SMN1; SMN2HPGDGAAKMT2ALIPE
SCHEMBL15376827 0.82 SMN1; SMN2 (0.50) SMN1; SMN2HPGDGAARAB9A
SCHEMBL20910493 0.81 SMN1; SMN2 (0.49) SMN1; SMN2KMT2ARAB9AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-9051314-B2 Bridged heterocyclic compounds and methods of use MEDIVATION TECHNOLOGIES, INC. (US) 2015-06-09 — — US disclosed
US-9040519-B2 Fused tetracyclic pyrido [4,3-B] indole and pyrido [3,4-B] indole derivatives and methods of use MEDIVATION TECHNOLOGIES, INC. (US) 2015-05-26 — — US disclosed
US-9034869-B2 Bridged heterocyclic compounds and methods of use MEDIVATION TECHNOLOGIES, INC. (US) 2015-05-19 — — US disclosed
US-8999977-B2 Bridged heterocyclic compounds and methods of use MEDIVATION TECHNOLOGIES, INC. (US) 2015-04-07 — — US disclosed
US-20140024643-A1 BRIDGED HETEROCYCLIC COMPOUNDS AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. (US) 2014-01-23 — — US disclosed
US-20130225558-A1 FUSED TETRACYCLIC PYRIDO [4,3-B] INDOLE AND PYRIDO [3,4-B] INDOLE DERIVATIVES AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. 2013-08-29 — — US disclosed
US-20130210803-A1 FUSED TETRACYCLIC PYRIDO [4,3-B] INDOLE AND PYRIDO [3,4-B] INDOLE DERIVATIVES AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. 2013-08-15 — — US disclosed
US-20130190303-A1 BRIDGED HETEROCYCLIC COMPOUNDS AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. (US) 2013-07-25 — — US disclosed
US-20130184269-A1 BRIDGED HETEROCYCLIC COMPOUNDS AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. (US) 2013-07-18 — — 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 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-20140024643-A1 BRIDGED HETEROCYCLIC COMPOUNDS AND METHODS OF USE HRH4, HNMT, HTR2C SMN1; SMN2 3057/4885HPGD 146/4885GAA 3150/4885
US-20130184269-A1 BRIDGED HETEROCYCLIC COMPOUNDS AND METHODS OF USE HRH4, HNMT, HTR2C SMN1; SMN2 3057/4885HPGD 146/4885GAA 3150/4885
US-20130190303-A1 BRIDGED HETEROCYCLIC COMPOUNDS AND METHODS OF USE HRH4, HNMT, HTR2C SMN1; SMN2 3057/4885HPGD 146/4885GAA 3150/4885
US-20130210803-A1 FUSED TETRACYCLIC PYRIDO [4,3-B] INDOLE AND PYRIDO [3,4-B] INDOLE DERIVATIVES AND METHODS OF USE HTR4, HTR3B, HTR2C SMN1; SMN2 1389/4885HPGD 1473/4885GAA 3706/4885
US-20130225558-A1 FUSED TETRACYCLIC PYRIDO [4,3-B] INDOLE AND PYRIDO [3,4-B] INDOLE DERIVATIVES AND METHODS OF USE HTR4, HTR3B, HTR2C SMN1; SMN2 1450/4885HPGD 1390/4885GAA 3654/4885

“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.

Send feedback