SCHEMBL2944486

SCHEMBL2944486

CN1CCN(c2ccc3[nH]ccc3c2)C(Cc2ccccc2)C1

nearest known ligand 0.67

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 12/20 0.67
SLC6A3 Q01959 12/20 0.67
SLC6A2 P23975 11/20 0.67
CYP2D6 P10635 1/20 0.46
GRIN1 Q05586 1/20 0.45
MAPK14 Q16539 2/20 0.39
ACHE P22303 1/20 0.39
HTR4 Q13639 1/20 0.39
SIGMAR1 Q99720 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
SCHEMBL27752369 0.84 SLC6A4 (0.64) SLC6A4SLC6A3SLC6A2CYP2D6GRIN1
SCHEMBL2943873 0.81 SLC6A4 (1.00) SLC6A4SLC6A3SLC6A2CYP2D6
SCHEMBL2951070 0.81 SLC6A4 (1.00) SLC6A4SLC6A3SLC6A2CYP2D6
SCHEMBL2948711 0.81 SLC6A4 (1.00) SLC6A4SLC6A3SLC6A2CYP2D6
SCHEMBL2946591 0.79 SLC6A4 (0.56) SLC6A4SLC6A3SLC6A2MAPK14
SCHEMBL8567524 0.75 SLC6A2 (0.47) SLC6A4SLC6A3SLC6A2SIGMAR1
SCHEMBL2946646 0.72 SLC6A4 (0.85) SLC6A4SLC6A3SLC6A2CYP2D6
SCHEMBL2941760 0.72 SLC6A4 (0.80) SLC6A4SLC6A3SLC6A2CYP2D6
SCHEMBL2953333 0.72 SLC6A4 (0.78) SLC6A4SLC6A3SLC6A2CYP2D6
SCHEMBL2950368 0.70 SLC6A4 (0.74) SLC6A4SLC6A3SLC6A2CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106573888-A Multi-component crystals of vismodegib and selected co-crystal formers or solvents 巴斯夫欧洲公司 2017-04-19 CN claimed
US-7754721-B2 Arylpiperazine derivatives and uses thereof ROCHE PALO ALTO LLC (US) 2010-07-13 US claimed
US-20080090899-A1 Application of water and organic solvent soluble ivermectin for topical and oral use PHARMACEUTICAL SOLUTIONS, INC. (US) 2008-04-17 US claimed
US-20060147481-A1 Ketoprofen powder for oral use STROBEL MICHAEL 2006-07-06 US claimed
US-6995190-B2 Method and treatment with ketoprofen solution VETERINARY SOLUTIONS (US) 2006-02-07 US claimed
US-20050009762-A1 Application of water and organic solvent soluble ivermectin for topical and oral use PHARMACEUTICAL SOLUTION, INC. 2005-01-13 US claimed
US-6627613-B2 Stable, palatable solution of Ivermectin in water is provided for the mass medication of animals ASSOCIATED BANK, NATIONAL ASSOCIATION, AS AGENT 2003-09-30 US claimed
US-20030040494-A1 Application of water and organic solvent soluble invermectin for topical and oral use ASSOCIATED BANK, NATIONAL ASSOCIATION, AS AGENT 2003-02-27 US claimed
US-20020169212-A1 Ketoprofen powder for oral use ASSOCIATED BANK, NATIONAL ASSOCIATION, AS AGENT 2002-11-14 US claimed
JP-59122576-A None JP disclosed
EP-3177591-A1 MULTI-COMPONENT CRYSTALS OF VISMODEGIB AND SELECTED CO-CRYSTAL FORMERS OR SOLVENTS BASF SE (DE) 2017-06-14 EP disclosed
CN-106573888-A Multi-component crystals of vismodegib and selected co-crystal formers or solvents 巴斯夫欧洲公司 2017-04-19 CN disclosed
CN-106373783-A High-performance working electrolyte solution for capacitor 安徽飞达电气科技有限公司 2017-02-01 CN disclosed
WO-2016020324-A1 MULTI-COMPONENT CRYSTALS OF VISMODEGIB AND SELECTED CO-CRYSTAL FORMERS OR SOLVENTS BASF SE (DE) 2016-02-11 WO disclosed
EP-0243483-A4 PYRIDYL-PYRIDAZONE AND PYRIDYL-PYRAZOLINONE CARDIOTONICS 1990-10-10 EP disclosed
EP-0108380-B1 PYRIDO 2,3-D PYRIDIMIN-5-ONES STERLING DRUG INC. (US) 1989-02-22 EP disclosed
EP-0243483-A1 PYRIDYL-PYRIDAZONE AND PYRIDYL-PYRAZOLINONE CARDIOTONICS RORER INTERNATIONAL (OVERSEAS) INC. (a Delaware corporation) (US) 1987-11-04 EP disclosed
WO-1987002587-A1 PYRIDYL-PYRIDAZONE AND PYRIDYL-PYRAZOLINONE CARDIOTONICS RORER INTERNATIONAL (OVERSEAS) INC. (US) 1987-05-07 WO disclosed
JP-S59122576-A THERMOCHROMIC COMPOSITION SAKURA COLOR PROD CORP 1984-07-16 JP disclosed
EP-0063754-A1 Pyrazolopyridine derivatives, and preparation, useful as cardiotonics STERLING DRUG INC. (US) 1982-11-03 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 (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-20050009762-A1 Application of water and organic solvent soluble ivermectin for topical and oral use AQP1, AQP4, AQP3 SLC6A4 3074/4885SLC6A3 2243/4885SLC6A2 2682/4885
US-20060147481-A1 Ketoprofen powder for oral use PKLR, PHYKPL, KYAT3 SLC6A4 789/4885SLC6A3 542/4885SLC6A2 1205/4885
US-20020169212-A1 Ketoprofen powder for oral use PKLR, PHYKPL, KYAT3 SLC6A4 789/4885SLC6A3 542/4885SLC6A2 1205/4885
US-20030040494-A1 Application of water and organic solvent soluble invermectin for topical and oral use SI, AQP1, MMP1 SLC6A4 3434/4885SLC6A3 2117/4885SLC6A2 3221/4885
US-20080090899-A1 Application of water and organic solvent soluble ivermectin for topical and oral use AQP1, AQP4, AQP3 SLC6A4 3074/4885SLC6A3 2243/4885SLC6A2 2682/4885

“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.