SCHEMBL4110445

SCHEMBL4110445

CCCCN1CCC(N(C)C)CC1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GNAO1 P09471 7/20 0.48
GNAI3 P08754 6/20 0.48
GNAI1 P63096 6/20 0.48
NOS3 P29474 1/20 0.44
NOS1 P29475 1/20 0.44
NOS2 P35228 1/20 0.44
KMT2A Q03164 1/20 0.40
GLB1 P16278 1/20 0.39
JAK2 O60674 1/20 0.39
JAK1 P23458 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
KCNH2 Q12809 1/20 0.39
HRH3 Q9Y5N1 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
SCHEMBL11928090 0.94 GNAO1 (0.56) GNAO1GNAI3GNAI1KCNH2
SCHEMBL24040198 0.92 GNAO1 (0.59) GNAO1GNAI3GNAI1KCNH2
SCHEMBL19273640 0.92 GNAO1 (0.59) GNAO1GNAI3GNAI1KCNH2
SCHEMBL23921893 0.92 GNAO1 (0.59) GNAO1GNAI3GNAI1KCNH2
Iodide SCHEMBL23001105 0.90 GNAO1 (0.58) GNAO1GNAI3GNAI1KCNH2
Iodide SCHEMBL23001162 0.90 GNAO1 (0.58) GNAO1GNAI3GNAI1KCNH2
SCHEMBL13472608 0.88 HRH3 (0.47) GNAO1GNAI3GNAI1GLB1JAK2
SCHEMBL16511589 0.88 HRH3 (0.47) GNAO1GNAI3GNAI1GLB1JAK2
SCHEMBL10223659 0.87 DRD2 (0.44) GNAO1GNAI3GNAI1NOS3NOS1
SCHEMBL22848993 0.84 NOS3 (0.48) GNAO1GNAI3GNAI1NOS3NOS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4257154-A1 BIOACTIVE SUBSTANCE CONJUGATE, PREPARATION METHOD THEREFOR AND USE THEREOF Medilink Therapeutics (Suzhou) Co., Ltd. (CN) 2023-10-11 EP disclosed
US-20230227472-A1 FUSED PYRIDONE COMPOUND, AND PREPARATION METHOD THEREFOR AND USE THEREOF SHANGHAI JEMINCARE PHARMACEUTICALS CO., LTD (CN) 2023-07-20 US disclosed
US-20230227472-A1 FUSED PYRIDONE COMPOUND, AND PREPARATION METHOD THEREFOR AND USE THEREOF SHANGHAI JEMINCARE PHARMACEUTICALS CO., LTD (CN) 2023-07-20 US disclosed
US-20220389029-A1 FUSED PYRIDONE COMPOUND, AND PREPARATION METHOD THEREFOR AND USE THEREOF SHANGHAI JEMINCARE PHARMACEUTICALS CO., LTD (CN) 2022-12-08 US disclosed
WO-2021052499-A1 FUSED PYRIDONE COMPOUND, AND PREPARATION METHOD THEREFOR AND USE THEREOF 上海济煜医药科技有限公司 2021-03-25 WO disclosed
US-9321773-B2 Compounds Respivert, Ltd. (GB) 2016-04-26 US disclosed
US-9206156-B2 Substituted indole derivatives Grünenthal GmbH (DE) 2015-12-08 US disclosed
US-20140249164-A1 COMPOUNDS RESPIVERT LTD (GB) 2014-09-04 US disclosed
US-20130116283-A1 Substituted indole derivatives Grünenthal GmbH (DE) 2013-05-09 US disclosed
US-8334378-B2 Thiazolyl-dihydro-quinazoline compounds and processes for preparing same BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-12-18 US disclosed
US-20100145041-A1 Thiazolyl-dihydro-quinazoline compounds and processes for preparing same BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-06-10 US disclosed
US-7691868-B2 N-{8-[2-chloro-5-(3-methylamino-prop-1-ynyl)-phenyl]-4,5-dihydro-thiazolo[4,5-h]quinazolin-2-yl}-acetamide; PI3-kinase modulators for the treatment of inflammatory or allergic diseases BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-06 US disclosed
US-20090215828-A1 Substituted indole derivatives GRUNENTHAL GMBH (DE) 2009-08-27 US disclosed
US-20070244104-A1 THIAZOLYL-DIHYDRO-QUINAZOLINE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-10-18 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 (7 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-20100145041-A1 Thiazolyl-dihydro-quinazoline compounds and processes for preparing same QDPR, NQO2, DHPS GNAO1 652/4885GNAI3 936/4885GNAI1 696/4885
US-20090215828-A1 Substituted indole derivatives IDO1, IDO2, TPH1 GNAO1 1359/4885GNAI3 277/4885GNAI1 326/4885
US-20220389029-A1 FUSED PYRIDONE COMPOUND, AND PREPARATION METHOD THEREFOR AND USE THEREOF KRAS, NRAS, WEE1 GNAO1 991/4885GNAI3 775/4885GNAI1 318/4885
US-20230227472-A1 FUSED PYRIDONE COMPOUND, AND PREPARATION METHOD THEREFOR AND USE THEREOF KRAS, NRAS, WEE1 GNAO1 991/4885GNAI3 775/4885GNAI1 318/4885
US-20140249164-A1 COMPOUNDS LTC4S, CYP11B2, LTB4R2 GNAO1 2331/4885GNAI3 2090/4885GNAI1 1467/4885
US-20130116283-A1 Substituted indole derivatives IDO1, IDO2, TPH1 GNAO1 1359/4885GNAI3 277/4885GNAI1 326/4885
US-20070244104-A1 THIAZOLYL-DIHYDRO-QUINAZOLINE QDPR, NQO2, CYP3A4 GNAO1 712/4885GNAI3 580/4885GNAI1 473/4885

“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.