SCHEMBL990676

SCHEMBL990676

Cc1ccc(CCCBr)cn1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.46
TSHR P16473 2/20 0.46
GAA P10253 2/20 0.46
MEN1 O00255 2/20 0.44
LMNA P02545 2/20 0.44
KMT2A Q03164 2/20 0.44
NFKB1 P19838 4/20 0.40
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
NFKB2 Q00653 3/20 0.40
RELA Q04206 3/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
MAPK1 P28482 2/20 0.40
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
MAPT P10636 1/20 0.39
PKM P14618 1/20 0.39
ALOX15 P16050 1/20 0.39

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
Bromide SCHEMBL4279277 0.98 SMN1; SMN2 (0.45) SMN1; SMN2TSHRGAAMEN1LMNA
SCHEMBL990630 0.88 SMN1; SMN2 (0.49) SMN1; SMN2TSHRGAAMEN1LMNA
SCHEMBL10144466 0.87 SMN1; SMN2 (0.51) SMN1; SMN2TSHRGAAMEN1LMNA
Bromide SCHEMBL27734957 0.86 SMN1; SMN2 (0.47) SMN1; SMN2TSHRGAAMEN1LMNA
SCHEMBL20749289 0.83 TSHR (0.55) SMN1; SMN2TSHRGAAMEN1LMNA
SCHEMBL1971057 0.82 NFKB1 (0.56) SMN1; SMN2TSHRGAAMEN1LMNA
SCHEMBL24637740 0.80 SMN1; SMN2 (0.46) SMN1; SMN2TSHRGAAMEN1LMNA
SCHEMBL5709749 0.80 CYP2A6 (0.53) SMN1; SMN2TSHRGAAMEN1LMNA
SCHEMBL30665032 0.80 L3MBTL1 (0.56) SMN1; SMN2TSHRGAAMEN1LMNA
SCHEMBL958610 0.80 SMN1; SMN2 (0.50) SMN1; SMN2TSHRGAAMEN1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9469641-B2 Pyrido[3,4-B]indoles and methods of use MEDIVATION TECHNOLOGIES, INC. (US) 2016-10-18 US disclosed
US-9260429-B2 Pyrido[3,4-B]indoles and methods of use MEDIVATION TECHNOLOGIES, INC. (US) 2016-02-16 US disclosed
EP-2274307-B1 BRIDGED HETEROCYCLIC COMPOUNDS AND METHODS OF USE MEDIVATION TECHNOLOGIES INC (US) 2015-07-29 EP disclosed
US-9051314-B2 Bridged heterocyclic compounds and methods of use MEDIVATION TECHNOLOGIES, INC. (US) 2015-06-09 US disclosed
US-9034869-B2 Bridged heterocyclic compounds and methods of use MEDIVATION TECHNOLOGIES, INC. (US) 2015-05-19 US disclosed
CN-102046625-B Bridged heterocyclic compounds and methods of use MEDIVATION TECHNOLOGIES INC 2015-04-08 CN disclosed
US-8999977-B2 Bridged heterocyclic compounds and methods of use MEDIVATION TECHNOLOGIES, INC. (US) 2015-04-07 US disclosed
CN-104387382-A PYRIDO[3,4-B]INDOLES AND METHODS OF USE MEDIVATION TECHNOLOGIES INC 2015-03-04 CN disclosed
CN-102083830-B Pyrido [3,4-b ] indoles and methods of use MEDIVATION TECHNOLOGIES INC 2014-11-12 CN disclosed
US-20140024643-A1 BRIDGED HETEROCYCLIC COMPOUNDS AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. (US) 2014-01-23 US disclosed
CN-102083830-A Pyrido [3,4-b ] indoles and methods of use MEDIVATION TECHNOLOGIES INC 2011-06-01 CN disclosed
CN-102046625-A Bridged heterocyclic compounds and methods of use MEDIVATION TECHNOLOGIES INC 2011-05-04 CN disclosed
EP-2280968-A2 PYRIDO [3, 4-B]INDOLES AND METHODS OF USE Medivation Technologies, Inc. (US) 2011-02-09 EP disclosed
EP-2274307-A1 BRIDGED HETEROCYCLIC COMPOUNDS AND METHODS OF USE Medivation Technologies, Inc. (US) 2011-01-19 EP disclosed
US-20100099667-A1 BRIDGED HETEROCYCLIC COMPOUNDS AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. 2010-04-22 US disclosed
WO-2009153536-A1 1-AZA-BICYCLO [2.2.2] OCTANE DERIVATIVES USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS ARGENTA DISCOVERY LIMITED (GB) 2009-12-23 WO disclosed
WO-2009153536-A1 1-AZA-BICYCLO [2.2.2] OCTANE DERIVATIVES USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS ARGENTA DISCOVERY LIMITED (GB) 2009-12-23 WO 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
WO-2009120720-A1 BRIDGED HETEROCYCLIC COMPOUNDS 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 (3 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 3057/4885TSHR 961/4885GAA 3150/4885
US-20090270412-A1 PYRIDO[3,4-B]INDOLES AND METHODS OF USE HTR3B, HTR4, HTR2C SMN1; SMN2 2604/4885TSHR 847/4885GAA 3526/4885
US-20100099667-A1 BRIDGED HETEROCYCLIC COMPOUNDS AND METHODS OF USE HRH4, HNMT, HTR2C SMN1; SMN2 3057/4885TSHR 961/4885GAA 3150/4885

“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.