SCHEMBL3436048

SCHEMBL3436048

COc1ccccc1OCCN1CCNCC1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.55
DRD2 P14416 2/20 0.54
DRD3 P35462 2/20 0.54
LTA4H P09960 2/20 0.54
TDP1 Q9NUW8 3/20 0.53
MITF O75030 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
SIGMAR1 Q99720 2/20 0.51
HTR3E A5X5Y0 1/20 0.51
HTR3B O95264 1/20 0.51
ADRB1 P08588 1/20 0.51
CYP2C19 P33261 1/20 0.51
HTR3A P46098 1/20 0.51
HTR6 P50406 1/20 0.51
HTR3D Q70Z44 1/20 0.51
HTR3C Q8WXA8 1/20 0.51
KDM4E B2RXH2 2/20 0.50
ALDH1A1 P00352 1/20 0.50
LMNA P02545 1/20 0.50

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
SCHEMBL3435110 0.92 KDM4E (0.54) DRD2DRD3TDP1SIGMAR1HTR3E
SCHEMBL7445795 0.86 POLB (0.75) POLBLTA4HSMN1; SMN2ALDH1A1
SCHEMBL12661473 0.85 POLB (0.73) POLBDRD2DRD3LTA4HTDP1
SCHEMBL11360251 0.84 TDP1 (0.74) LTA4HTDP1NPSR1SIGMAR1CYP2C19
SCHEMBL11817599 0.82 KDM4E (0.58) POLBLTA4HTDP1SMN1; SMN2NPSR1
SCHEMBL17181753 0.81 POLB (0.43) POLBLTA4HTDP1SIGMAR1KDM4E
SCHEMBL2158197 0.81 KDM4E (0.60) LTA4HTDP1SIGMAR1CYP2C19KDM4E
SCHEMBL5319656 0.81 KDM4E (0.70) POLBTDP1SMN1; SMN2KDM4EALDH1A1
SCHEMBL28311407 0.81 TSHR (0.72) LTA4HTDP1SMN1; SMN2SIGMAR1CYP2C19
Ammonia Solution, Strong SCHEMBL4267670 0.80 KDM4E (0.68) POLBTDP1SMN1; SMN2KDM4EALDH1A1

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-20140273458-A1 Chemical Mechanical Planarization for Tungsten-Containing Substrates AIR PRODUCTS AND CHEMICALS, INC. (US) 2014-09-18 US claimed
EP-2779217-A2 Chemical mechanical planarization for tungsten-containing substrates AIR PRODUCTS AND CHEMICALS, INC. (US) 2014-09-17 EP claimed
CN-104046246-A Chemical Mechanical Planarization for Tungsten-Containing Substrates AIR PROD & CHEM 2014-09-17 CN claimed
CN-110128369-A Benzo [d] isothiazole -3 (2H) -one derivative and its preparation method and application 东南大学 2019-08-16 CN disclosed
US-20140273458-A1 Chemical Mechanical Planarization for Tungsten-Containing Substrates AIR PRODUCTS AND CHEMICALS, INC. (US) 2014-09-18 US disclosed
EP-2779217-A2 Chemical mechanical planarization for tungsten-containing substrates AIR PRODUCTS AND CHEMICALS, INC. (US) 2014-09-17 EP disclosed
CN-104046246-A Chemical Mechanical Planarization for Tungsten-Containing Substrates AIR PROD & CHEM 2014-09-17 CN disclosed
US-8163907-B2 Dihydropyridine calcium antagonist compounds, preparation methods, and medical uses thereof COSUNTER PHARMACEUTICAL COMPANY (CN) 2012-04-24 US disclosed
US-8163907-B2 Dihydropyridine calcium antagonist compounds, preparation methods, and medical uses thereof COSUNTER PHARMACEUTICAL COMPANY (CN) 2012-04-24 US disclosed
US-20110201811-A1 DIHYDROPYRIDINE CALCIUM ANTAGONIST COMPOUNDS, PREPARATION METHODS, AND MEDICAL USES THEREOF COSUNTER PHARMACEUTICAL COMPANY (CN) 2011-08-18 US disclosed
US-20110201811-A1 DIHYDROPYRIDINE CALCIUM ANTAGONIST COMPOUNDS, PREPARATION METHODS, AND MEDICAL USES THEREOF COSUNTER PHARMACEUTICAL COMPANY (CN) 2011-08-18 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 (1 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-20110201811-A1 DIHYDROPYRIDINE CALCIUM ANTAGONIST COMPOUNDS, PREPARATION METHODS, AND MEDICAL USES THEREOF RYR1, CACNA1E, CACNA1C POLB 4761/4885DRD2 229/4885DRD3 209/4885

“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.