SCHEMBL718300

SCHEMBL718300

O=C1CCCC(c2ccc(Cl)cc2)C1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 2/20 0.50
SRD5A1 P18405 2/20 0.46
HTR3A P46098 1/20 0.46
MAPT P10636 3/20 0.45
ALDH1A1 P00352 1/20 0.45
POLB P06746 1/20 0.45
ALOX12 P18054 1/20 0.45
HTT P42858 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
HSD17B10 Q99714 1/20 0.45
MAP1LC3B Q9GZQ8 1/20 0.41
PDE4A P27815 1/20 0.41
PDE4B Q07343 1/20 0.41
PDE4C Q08493 1/20 0.41
PDE4D Q08499 1/20 0.41
CYP1A2 P05177 2/20 0.41
CYP2C9 P11712 2/20 0.41
HPGD P15428 2/20 0.41
KMT2A Q03164 2/20 0.41
KDM4E B2RXH2 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
SCHEMBL444141 0.89 SRD5A1 (0.53) ESR2SRD5A1HTR3AMAPTALDH1A1
SCHEMBL28137635 0.85 ESR2 (0.69) ESR2SRD5A1HTR3AMAPTALDH1A1
SCHEMBL17996691 0.81 ESR2 (0.50) ESR2MAPTMAP1LC3BPDE4APDE4B
SCHEMBL18980759 0.81 ESR2 (0.50) ESR2MAPTMAP1LC3BPDE4APDE4B
SCHEMBL714856 0.81 ESR2 (0.50) ESR2MAPTALDH1A1POLBSMN1; SMN2
SCHEMBL3964037 0.81 ESR2 (0.74) ESR2MAPTCYP2C9CYP3A4CYP2D6
SCHEMBL3668278 0.81 ESR2 (0.50) ESR2MAPTPDE4APDE4BPDE4C
SCHEMBL715319 0.81 ESR2 (0.50) ESR2MAPTMAP1LC3BPDE4APDE4B
SCHEMBL714528 0.81 MAPT (0.59) ESR2SRD5A1MAPTALDH1A1CYP2C9
SCHEMBL714527 0.81 MAPT (0.59) ESR2SRD5A1MAPTALDH1A1CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114574883-A Method for deoxidizing, hydrogenating and deuterating alpha, beta-unsaturated aldehyde ketone into corresponding olefin and deuterated olefin 南京中医药大学 2022-06-03 CN disclosed
CN-108299334-B Bicyclic sulfinamide-alkene chiral ligand, and preparation method and application thereof 成都理工大学 2021-06-25 CN disclosed
EP-2816040-B1 Process for the production of CCR2 receptor antagonists and intermediates thereof CENTREXION THERAPEUTICS CORP (US) 2018-10-17 EP disclosed
US-9751877-B2 Substituted pyrido[1,2-a]pyrazines for the treatment of neurodegenerative and neurological disorders PFIZER INC. (US) 2017-09-05 US disclosed
US-9751877-B2 Substituted pyrido[1,2-a]pyrazines for the treatment of neurodegenerative and neurological disorders PFIZER INC. (US) 2017-09-05 US disclosed
US-9751877-B2 Substituted pyrido[1,2-a]pyrazines for the treatment of neurodegenerative and neurological disorders PFIZER INC. (US) 2017-09-05 US disclosed
EP-2897956-B1 NOVEL BICYCLIC PYRIDINONES PFIZER (US) 2016-11-09 EP disclosed
EP-2897956-B1 NOVEL BICYCLIC PYRIDINONES PFIZER (US) 2016-11-09 EP disclosed
US-20160024088-A1 Novel Pyrido[1,2-a]Pryazines And Their Use in the Treatment of Neurodegenerative and Neurological Disorders PFIZER INC. 2016-01-28 US disclosed
US-20160024088-A1 Novel Pyrido[1,2-a]Pryazines And Their Use in the Treatment of Neurodegenerative and Neurological Disorders PFIZER INC. 2016-01-28 US disclosed
US-8835440-B2 Cyclic pyrimidin-4-carboxamides as CCR2 receptor antagonists for treatment of inflammation, asthma and COPD BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-09-16 US disclosed
WO-2014045156-A1 NOVEL BICYCLIC PYRIDINONES PFIZER INC. (US) 2014-03-27 WO disclosed
US-20140088111-A1 Novel Bicyclic Pyridinones PFIZER INC. (US) 2014-03-27 US disclosed
US-20140088111-A1 Novel Bicyclic Pyridinones PFIZER INC. (US) 2014-03-27 US disclosed
WO-2014045156-A1 NOVEL BICYCLIC PYRIDINONES PFIZER INC. (US) 2014-03-27 WO disclosed
US-20140088111-A1 Novel Bicyclic Pyridinones PFIZER INC. (US) 2014-03-27 US disclosed
US-20130324517-A1 CYCLIC PYRIMIDIN-4-CARBOXAMIDES AS CCR2 RECEPTOR ANTAGONISTS FOR TREATMENT OF INFLAMMATION, ASTHMA AND COPD BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-12-05 US disclosed
US-20120053164-A1 CYCLIC PYRIMIDIN-4-CARBOXAMIDES AS CCR2 RECEPTOR ANTAGONISTS FOR TREATMENT OF INFLAMMATION, ASTHMA AND COPD BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-03-01 US disclosed
EP-0433780-B1 Substituted azolylmethylcycloalkanols and fungicides containing them BASF AG (DE) 1996-04-03 EP disclosed
EP-0433780-A1 Substituted azolylmethylcycloalkanols and fungicides containing them BASF Aktiengesellschaft (DE) 1991-06-26 EP 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 (4 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-20120053164-A1 CYCLIC PYRIMIDIN-4-CARBOXAMIDES AS CCR2 RECEPTOR ANTAGONISTS FOR TREATMENT OF INFLAMMATION, ASTHMA AND COPD CCR2, CCR1, CCR5 ESR2 536/4885SRD5A1 2496/4885HTR3A 909/4885
US-20140088111-A1 Novel Bicyclic Pyridinones CYP2B6, CYP2D6, CYP2C19 ESR2 3844/4885SRD5A1 310/4885HTR3A 400/4885
US-20160024088-A1 Novel Pyrido[1,2-a]Pryazines And Their Use in the Treatment of Neurodegenerative and Neurological Disorders PRNP, SNCA, PSEN1 ESR2 4316/4885SRD5A1 1443/4885HTR3A 213/4885
US-20130324517-A1 CYCLIC PYRIMIDIN-4-CARBOXAMIDES AS CCR2 RECEPTOR ANTAGONISTS FOR TREATMENT OF INFLAMMATION, ASTHMA AND COPD CCR2, CCR5, CCR1 ESR2 538/4885SRD5A1 4361/4885HTR3A 1045/4885

“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.